#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jko s GLU 416 N 0.00 4.46 -0.05 -0.72 2.56 -1.26 -0.80 118.70 122.89 2jko s GLU 416 Ca 0.00 1.89 0.06 0.00 0.00 0.00 0.00 54.97 56.92 2jko s GLU 416 Cb 0.00 -3.25 -0.01 0.00 2.00 0.00 0.00 34.13 32.87 2jko s GLU 416 CO 0.00 -0.15 -0.24 0.42 -0.56 0.00 0.00 175.26 174.72 2jko s ILE 417 N 0.21 1.97 0.17 -3.70 1.01 -0.23 -4.87 121.20 115.76 2jko s ILE 417 Ca 0.55 -1.03 -0.31 0.00 0.00 0.00 0.00 60.65 59.86 2jko s ILE 417 Cb -0.33 -1.67 -0.09 0.00 0.01 0.00 0.00 42.46 40.39 2jko s ILE 417 CO 0.35 0.55 1.39 -1.10 0.00 0.00 0.00 174.94 176.14 2jko s GLN 418 N -0.21 4.32 0.34 2.79 -1.52 -1.26 -4.57 119.66 119.56 2jko s GLN 418 Ca -0.02 2.14 0.05 0.00 -1.95 0.00 0.00 55.36 55.58 2jko s GLN 418 Cb -0.13 -3.19 0.68 0.00 -0.22 0.00 0.00 33.01 30.15 2jko s GLN 418 CO 0.03 -0.39 1.93 -0.09 -0.25 0.00 0.00 175.29 176.52 2jko h ARG 419 N 6.00 0.81 0.00 2.91 2.43 -1.96 -0.85 114.38 123.72 2jko h ARG 419 Ca -0.44 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 2jko h ARG 419 Cb 1.21 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.58 2jko h ARG 419 CO 0.82 0.54 0.00 0.39 -1.51 0.00 0.00 179.97 180.21 2jko n GLU 420 N -4.49 0.01 0.00 0.20 4.71 -1.26 -0.74 120.64 119.07 2jko n GLU 420 Ca 0.12 0.34 0.13 0.00 -0.01 0.00 0.00 57.16 57.75 2jko n GLU 420 Cb 0.25 -1.50 0.48 0.00 -1.01 0.00 0.00 31.44 29.66 2jko n GLU 420 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 2jko n ARG 421 N -1.48 0.61 -4.10 3.49 1.74 -0.32 -4.77 116.66 111.82 2jko n ARG 421 Ca 0.02 -0.28 -0.35 0.00 -0.77 0.00 0.00 57.85 56.47 2jko n ARG 421 Cb 0.10 -1.49 -0.13 0.00 -1.02 0.00 0.00 32.46 29.91 2jko n ARG 421 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2jko s ILE 422 N -2.59 3.73 -0.37 0.55 -1.09 0.08 -0.64 121.20 120.87 2jko s ILE 422 Ca 0.24 -0.39 -0.12 0.00 -2.23 0.00 0.00 60.65 58.15 2jko s ILE 422 Cb 0.19 -2.68 0.01 0.00 -1.58 0.00 0.00 42.46 38.41 2jko s ILE 422 CO 0.52 0.44 0.23 -0.70 -1.23 0.00 0.00 174.94 174.20 2jko s GLU 423 N 1.05 3.05 0.02 2.79 2.12 -0.09 -4.97 118.70 122.67 2jko s GLU 423 Ca 0.01 -0.94 -0.30 0.00 0.36 0.00 0.00 54.97 54.10 2jko s GLU 423 Cb -0.14 -3.78 -0.05 0.00 0.26 0.00 0.00 34.13 30.42 2jko s GLU 423 CO 0.01 -0.63 1.17 -1.17 -0.54 0.00 0.00 175.26 174.10 2jko s LEU 424 N 1.62 4.35 0.00 2.70 2.96 -1.26 -1.53 118.68 127.51 2jko s LEU 424 Ca 0.04 1.92 0.00 0.00 -0.22 0.00 0.00 54.13 55.87 2jko s LEU 424 Cb -0.18 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 42.93 2jko s LEU 424 CO 0.08 -0.47 0.00 0.61 -1.32 0.00 0.00 176.35 175.25 2jko n GLY 425 N 3.22 4.20 3.77 7.98 0.00 -0.02 -4.98 105.19 119.36 2jko n GLY 425 Ca 0.09 -1.84 -0.40 0.00 0.00 0.00 0.00 46.02 43.87 2jko n GLY 425 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2jko s ARG 426 N 2.55 3.95 0.04 1.61 3.52 -1.25 -4.60 118.95 124.76 2jko s ARG 426 Ca 0.00 2.39 -0.31 0.00 -0.13 0.00 0.00 55.73 57.68 2jko s ARG 426 Cb 0.00 -2.82 -0.07 0.00 -1.56 0.00 0.00 34.95 30.51 2jko s ARG 426 CO 0.00 -0.59 1.44 0.00 -0.81 0.00 0.00 175.30 175.34 2jko n ILE 428 N 4.51 1.16 -2.28 0.00 -5.35 -0.13 -4.90 119.36 112.37 2jko n ILE 428 Ca 0.13 -0.37 0.00 0.00 -0.27 0.00 0.00 62.75 62.24 2jko n ILE 428 Cb 0.43 -1.48 0.00 0.00 -1.74 0.00 0.00 39.64 36.84 2jko n ILE 428 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2jko n GLY 429 N 2.12 4.57 3.60 3.28 0.00 -0.89 -5.02 105.19 112.85 2jko n GLY 429 Ca -0.39 -1.09 -0.08 0.00 0.00 0.00 0.00 46.02 44.46 2jko n GLY 429 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2jko s GLU 430 N 1.38 0.68 0.00 1.61 -1.05 -1.26 -1.71 118.70 118.35 2jko s GLU 430 Ca 0.00 1.17 0.00 0.00 -0.15 0.00 0.00 54.97 55.99 2jko s GLU 430 Cb 0.00 0.13 0.00 0.00 -0.44 0.00 0.00 34.13 33.82 2jko s GLU 430 CO 0.00 -0.15 0.00 0.41 0.95 0.00 0.00 175.26 176.47 2jko n GLY 431 N 4.28 1.51 0.06 -3.83 0.00 0.11 -4.90 105.19 102.41 2jko n GLY 431 Ca -0.20 -1.99 -0.13 0.00 0.00 0.00 0.00 46.02 43.70 2jko n GLY 431 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2jko h GLN 432 N 0.00 -0.01 0.00 1.61 7.50 -1.92 -3.30 115.11 118.99 2jko h GLN 432 Ca 0.00 0.00 -0.04 0.00 0.50 0.00 0.00 58.65 59.11 2jko h GLN 432 Cb 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.53 2jko h GLN 432 CO 0.00 0.58 -0.21 0.74 -1.50 0.00 0.00 178.83 178.44 2jko h PHE 433 N -0.60 0.00 0.00 2.96 -1.00 -1.96 -3.48 116.94 112.86 2jko h PHE 433 Ca -0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 2jko h PHE 433 Cb 0.59 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.15 2jko h PHE 433 CO 0.13 0.21 0.00 0.41 -1.61 0.00 0.00 178.31 177.46 2jko n GLY 434 N 0.29 -1.09 3.75 -1.45 0.00 -1.15 0.22 105.19 105.74 2jko n GLY 434 Ca 0.01 -1.06 -0.34 0.00 0.00 0.00 0.00 46.02 44.62 2jko n GLY 434 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jko s ASP 435 N -4.00 4.83 -0.11 1.61 1.01 -1.26 -0.72 116.67 118.04 2jko s ASP 435 Ca 0.00 2.26 0.02 0.00 0.71 0.00 0.00 52.55 55.54 2jko s ASP 435 Cb 0.00 -2.58 -0.01 0.00 1.01 0.00 0.00 42.92 41.34 2jko s ASP 435 CO 0.00 -1.83 -0.18 -0.69 0.21 0.00 0.00 175.17 172.68 2jko s VAL 436 N -1.94 2.60 0.22 -1.27 1.01 -0.69 -0.85 120.40 119.48 2jko s VAL 436 Ca 0.73 -0.83 0.09 0.00 0.00 0.00 0.00 61.98 61.98 2jko s VAL 436 Cb -0.27 -2.05 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 2jko s VAL 436 CO 0.39 0.54 -0.05 -1.00 0.00 0.00 0.00 175.10 174.98 2jko s HIS 437 N 0.31 2.67 0.39 5.22 3.76 0.82 -0.95 115.29 127.52 2jko s HIS 437 Ca -0.14 -0.22 -0.04 0.00 -0.15 0.00 0.00 55.06 54.52 2jko s HIS 437 Cb -0.17 -1.25 -0.04 0.00 1.11 0.00 0.00 32.58 32.24 2jko s HIS 437 CO 0.07 0.57 0.66 1.14 -0.85 0.00 0.00 174.74 176.33 2jko s GLN 438 N -3.21 3.56 0.07 1.40 -2.07 -0.18 0.54 119.66 119.77 2jko s GLN 438 Ca 0.28 0.00 -0.08 0.00 -1.82 0.00 0.00 55.36 53.74 2jko s GLN 438 Cb -0.08 -2.52 0.03 0.00 -1.09 0.00 0.00 33.01 29.35 2jko s GLN 438 CO 0.17 0.01 0.38 0.41 -1.32 0.00 0.00 175.29 174.94 2jko n GLY 439 N -1.78 1.09 3.12 2.60 0.00 0.30 -0.84 105.19 109.67 2jko n GLY 439 Ca -0.02 -1.01 -0.28 0.00 0.00 0.00 0.00 46.02 44.71 2jko n GLY 439 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jko s ILE 440 N -2.40 1.56 -0.23 -0.61 -1.09 -0.58 -0.91 121.20 116.94 2jko s ILE 440 Ca 0.08 -0.74 -0.06 0.00 -2.23 0.00 0.00 60.65 57.71 2jko s ILE 440 Cb -0.01 -1.37 -0.02 0.00 -1.58 0.00 0.00 42.46 39.47 2jko s ILE 440 CO 0.02 0.45 0.02 -0.47 -1.23 0.00 0.00 174.94 173.73 2jko s TYR 441 N 0.42 3.04 -0.47 3.97 5.04 0.20 -0.92 117.35 128.64 2jko s TYR 441 Ca -0.14 -0.57 -0.10 0.00 -2.44 0.00 0.00 57.07 53.81 2jko s TYR 441 Cb -0.16 -2.16 0.11 0.00 0.35 0.00 0.00 41.96 40.10 2jko s TYR 441 CO 0.06 -0.38 0.35 -1.64 -1.34 0.00 0.00 175.55 172.60 2jko s MET 442 N 1.42 2.56 0.19 4.97 -1.94 0.18 -0.66 119.30 126.02 2jko s MET 442 Ca 0.05 -1.71 0.09 0.00 -1.71 0.00 0.00 55.69 52.41 2jko s MET 442 Cb -0.15 -3.96 -0.04 0.00 2.01 0.00 0.00 34.83 32.70 2jko s MET 442 CO 0.01 -1.18 -0.08 -1.54 -0.01 0.00 0.00 175.02 172.23 2jko s SER 443 N 2.71 4.33 0.00 3.03 1.04 -1.26 -4.78 113.70 118.77 2jko s SER 443 Ca 0.05 -0.56 -0.03 0.00 0.48 0.00 0.00 55.95 55.89 2jko s SER 443 Cb -0.26 -0.76 -0.12 0.00 0.10 0.00 0.00 66.02 64.97 2jko s SER 443 CO 0.00 0.09 2.49 -0.81 0.98 0.00 0.00 173.24 176.00 2jko n PRO 444 N -0.04 1.31 0.00 4.02 -0.04 -1.26 -3.10 135.00 135.89 2jko n PRO 444 Ca -0.10 -0.46 0.00 0.00 -0.04 0.00 0.00 63.50 62.90 2jko n PRO 444 Cb 0.56 -1.53 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 2jko n PRO 444 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2jko n GLU 445 N 2.11 4.34 0.00 0.54 1.02 -1.26 -5.03 120.64 122.36 2jko n GLU 445 Ca 0.20 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.34 2jko n GLU 445 Cb 0.62 -0.36 0.00 0.00 -0.02 0.00 0.00 31.44 31.68 2jko n GLU 445 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2jko n ASN 446 N 0.00 0.00 -0.55 1.62 2.85 -1.18 -5.12 115.26 112.88 2jko n ASN 446 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 2jko n ASN 446 Cb 0.00 -0.12 0.00 0.00 1.24 0.00 0.00 39.78 40.90 2jko n ASN 446 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 2jko n PRO 447 N -1.73 3.81 -4.08 1.20 -0.04 -1.26 -5.06 135.00 127.83 2jko n PRO 447 Ca 0.00 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.06 2jko n PRO 447 Cb 0.00 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.45 2jko n PRO 447 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jko n ALA 448 N -3.00 -2.43 -2.69 0.55 0.00 -1.23 -4.91 120.51 106.80 2jko n ALA 448 Ca 0.00 -0.49 -0.41 0.00 0.00 0.00 0.00 53.44 52.54 2jko n ALA 448 Cb 0.00 -2.29 -0.05 0.00 0.00 0.00 0.00 19.45 17.11 2jko n ALA 448 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 2jko s MET 449 N -7.21 4.35 0.15 0.00 1.75 0.16 -4.85 119.30 113.65 2jko s MET 449 Ca 0.34 0.91 -0.30 0.00 -1.25 0.00 0.00 55.69 55.39 2jko s MET 449 Cb -0.18 -3.52 -0.08 0.00 2.84 0.00 0.00 34.83 33.89 2jko s MET 449 CO 0.96 -0.15 1.30 0.00 -0.65 0.00 0.00 175.02 176.48 2jko s ALA 450 N 1.55 3.51 0.07 4.11 0.00 -1.26 0.61 121.76 130.36 2jko s ALA 450 Ca 0.37 1.05 -0.01 0.00 0.00 0.00 0.00 51.96 53.37 2jko s ALA 450 Cb -0.17 -3.48 -0.04 0.00 0.00 0.00 0.00 23.12 19.43 2jko s ALA 450 CO 0.15 -0.52 0.00 0.14 0.00 0.00 0.00 175.76 175.53 2jko s VAL 451 N 0.52 0.18 -0.13 0.00 -7.23 -0.09 -3.97 120.40 109.68 2jko s VAL 451 Ca 0.59 -1.82 -0.07 0.00 -1.81 0.00 0.00 61.98 58.86 2jko s VAL 451 Cb -0.35 -1.67 -0.04 0.00 0.56 0.00 0.00 36.38 34.88 2jko s VAL 451 CO 0.34 -0.83 0.13 0.00 -0.31 0.00 0.00 175.10 174.43 2jko s ALA 452 N -3.96 3.84 -0.26 1.32 0.00 0.38 -0.54 121.76 122.55 2jko s ALA 452 Ca 0.12 -0.65 0.03 0.00 0.00 0.00 0.00 51.96 51.46 2jko s ALA 452 Cb 0.08 -1.98 0.06 0.00 0.00 0.00 0.00 23.12 21.28 2jko s ALA 452 CO -0.07 0.57 -0.09 0.42 0.00 0.00 0.00 175.76 176.59 2jko s ILE 453 N -0.88 2.07 -0.15 0.00 1.01 0.19 -0.33 121.20 123.11 2jko s ILE 453 Ca 0.14 -1.62 -0.24 0.00 0.00 0.00 0.00 60.65 58.93 2jko s ILE 453 Cb -0.12 -2.23 -0.02 0.00 0.01 0.00 0.00 42.46 40.10 2jko s ILE 453 CO 0.03 -0.08 0.78 -0.54 0.00 0.00 0.00 174.94 175.14 2jko s LYS 454 N 1.13 4.32 0.28 2.79 1.02 0.04 -0.13 119.74 129.20 2jko s LYS 454 Ca -0.07 0.94 0.08 0.00 0.02 0.00 0.00 55.97 56.94 2jko s LYS 454 Cb -0.20 -3.55 -0.04 0.00 -0.52 0.00 0.00 37.83 33.53 2jko s LYS 454 CO -0.05 -0.23 0.15 0.95 -0.92 0.00 0.00 175.35 175.25 2jko s THR 455 N 1.81 3.84 -0.10 2.17 -4.23 -0.03 -1.50 115.64 117.60 2jko s THR 455 Ca 0.37 -1.57 0.02 0.00 -1.18 0.00 0.00 61.69 59.33 2jko s THR 455 Cb -0.17 -3.16 0.01 0.00 1.34 0.00 0.00 72.50 70.52 2jko s THR 455 CO 0.14 -0.30 -0.14 0.00 -0.54 0.00 0.00 174.62 173.78 2jko s LYS 457 N 0.95 4.51 -1.21 0.00 3.01 0.58 -4.15 119.74 123.44 2jko s LYS 457 Ca -0.08 1.70 -0.01 0.00 -1.01 0.00 0.00 55.97 56.58 2jko s LYS 457 Cb -0.15 -3.33 -0.01 0.00 -1.01 0.00 0.00 37.83 33.33 2jko s LYS 457 CO -0.00 -0.10 0.94 0.09 0.51 0.00 0.00 175.35 176.79 2jko n ASN 458 N 3.29 -2.27 -0.06 2.83 3.02 -1.26 -4.89 115.26 115.92 2jko n ASN 458 Ca 0.06 -0.66 0.16 0.00 -0.03 0.00 0.00 54.58 54.10 2jko n ASN 458 Cb 0.47 -4.94 0.89 0.00 -0.61 0.00 0.00 39.78 35.59 2jko n ASN 458 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jko h THR 460 N 0.32 0.93 -3.11 0.00 2.02 -1.93 -3.37 112.91 107.77 2jko h THR 460 Ca 0.00 -0.13 -0.58 0.00 0.77 0.00 0.00 66.41 66.47 2jko h THR 460 Cb 0.08 0.51 -0.06 0.00 -1.74 0.00 0.00 68.15 66.94 2jko h THR 460 CO 0.00 0.07 0.84 -0.55 0.37 0.00 0.00 175.52 176.25 2jko s SER 461 N -6.38 7.01 0.44 4.18 0.15 -0.85 -4.94 113.70 113.32 2jko s SER 461 Ca -0.07 1.35 0.25 0.00 0.70 0.00 0.00 55.95 58.17 2jko s SER 461 Cb 0.19 -2.54 0.89 0.00 -1.71 0.00 0.00 66.02 62.85 2jko s SER 461 CO 0.74 -0.76 1.81 0.44 1.20 0.00 0.00 173.24 176.67 2jko h ASP 462 N 7.84 0.00 -0.43 5.45 3.45 -1.86 -3.19 116.42 127.69 2jko h ASP 462 Ca -0.21 0.00 -0.11 0.00 0.43 0.00 0.00 57.03 57.13 2jko h ASP 462 Cb 1.07 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.83 2jko h ASP 462 CO 0.99 0.20 -0.18 0.77 -1.57 0.00 0.00 179.24 179.45 2jko h SER 463 N 0.00 0.90 1.62 6.45 4.64 -1.92 -3.12 113.55 122.12 2jko h SER 463 Ca -0.00 -0.39 -0.03 0.00 -0.47 0.00 0.00 61.79 60.90 2jko h SER 463 Cb 0.77 -0.25 -0.00 0.00 -0.31 0.00 0.00 62.40 62.61 2jko h SER 463 CO 0.03 1.09 -0.12 -0.37 -0.87 0.00 0.00 176.83 176.59 2jko h VAL 464 N 0.70 0.23 -0.32 0.95 -1.51 -1.86 -3.22 116.25 111.22 2jko h VAL 464 Ca 0.10 -1.17 -0.15 0.00 -1.23 0.00 0.00 66.70 64.24 2jko h VAL 464 Cb 0.74 1.98 -0.01 0.00 -2.13 0.00 0.00 31.29 31.87 2jko h VAL 464 CO 0.06 0.12 -0.41 -0.09 -1.23 0.00 0.00 177.57 176.02 2jko h ARG 465 N 0.00 0.79 -0.54 5.19 2.43 -1.56 -1.64 114.38 119.06 2jko h ARG 465 Ca -0.00 -0.42 -0.09 0.00 -0.81 0.00 0.00 59.98 58.66 2jko h ARG 465 Cb 0.97 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.52 2jko h ARG 465 CO 0.02 1.05 -0.00 0.93 -1.51 0.00 0.00 179.97 180.46 2jko h GLU 466 N 0.64 0.95 0.00 0.20 5.08 -1.55 -0.14 114.58 119.76 2jko h GLU 466 Ca 0.05 -0.30 -0.16 0.00 -1.00 0.00 0.00 59.36 57.95 2jko h GLU 466 Cb 0.98 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.12 2jko h GLU 466 CO 0.09 0.96 -0.74 1.57 -1.00 0.00 0.00 179.01 179.89 2jko h LYS 467 N 0.82 0.00 0.09 2.33 2.10 -1.63 -1.88 116.57 118.41 2jko h LYS 467 Ca 0.15 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.80 2jko h LYS 467 Cb 0.53 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.86 2jko h LYS 467 CO 0.03 0.74 -0.05 0.35 -2.00 0.00 0.00 179.45 178.53 2jko h PHE 468 N 0.00 -0.12 0.00 0.07 3.57 -1.11 -3.18 116.94 116.18 2jko h PHE 468 Ca -0.01 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.43 2jko h PHE 468 Cb 1.47 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 40.24 2jko h PHE 468 CO 0.00 0.11 -0.28 -0.07 -2.23 0.00 0.00 178.31 175.85 2jko h LEU 469 N -0.34 0.00 -2.06 0.59 3.38 -1.07 -2.84 115.31 112.97 2jko h LEU 469 Ca -0.01 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.97 2jko h LEU 469 Cb 0.28 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 2jko h LEU 469 CO 0.02 0.28 0.04 -0.61 0.09 0.00 0.00 178.44 178.25 2jko h GLN 470 N 0.00 0.00 -0.01 1.13 5.75 -1.32 -2.23 115.11 118.43 2jko h GLN 470 Ca -0.00 0.00 -0.08 0.00 -0.15 0.00 0.00 58.65 58.41 2jko h GLN 470 Cb 0.77 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.30 2jko h GLN 470 CO 0.04 0.00 -0.39 0.93 -2.65 0.00 0.00 178.83 176.75 2jko h GLU 471 N 0.00 0.03 -0.32 1.69 5.08 -1.52 -2.01 114.58 117.53 2jko h GLU 471 Ca 0.02 -0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.27 2jko h GLU 471 Cb 0.09 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 2jko h GLU 471 CO -0.00 0.42 -0.20 0.00 -1.00 0.00 0.00 179.01 178.23 2jko h ALA 472 N 1.58 0.45 -0.99 3.43 0.00 -1.54 -2.89 119.26 119.30 2jko h ALA 472 Ca -0.00 -0.36 0.05 0.00 0.00 0.00 0.00 54.91 54.60 2jko h ALA 472 Cb 0.71 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.33 2jko h ALA 472 CO 0.05 0.40 0.65 -0.07 0.00 0.00 0.00 179.25 180.28 2jko h LEU 473 N 0.46 1.06 -0.32 0.00 3.38 -1.35 -1.19 115.31 117.34 2jko h LEU 473 Ca 0.07 -0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.10 2jko h LEU 473 Cb 0.74 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 41.20 2jko h LEU 473 CO 0.06 0.71 -0.09 0.74 0.09 0.00 0.00 178.44 179.94 2jko h THR 474 N 1.22 0.65 0.00 0.22 2.02 -1.27 -2.67 112.91 113.08 2jko h THR 474 Ca 0.41 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.50 2jko h THR 474 Cb 0.07 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 2jko h THR 474 CO -0.14 0.00 -0.40 0.24 0.37 0.00 0.00 175.52 175.59 2jko h MET 475 N -0.02 0.00 -0.58 6.66 2.86 -1.18 -3.16 114.93 119.51 2jko h MET 475 Ca 0.16 0.00 0.14 0.00 -2.06 0.00 0.00 59.70 57.94 2jko h MET 475 Cb 0.26 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.89 2jko h MET 475 CO -0.34 0.40 0.40 -0.09 1.06 0.00 0.00 176.91 178.34 2jko h ARG 476 N 0.00 0.16 0.00 1.72 2.43 -0.87 -2.20 114.38 115.62 2jko h ARG 476 Ca -0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2jko h ARG 476 Cb 0.96 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.48 2jko h ARG 476 CO 0.05 0.11 0.00 0.00 -1.51 0.00 0.00 179.97 178.62 2jko n GLN 477 N -4.42 0.14 -4.53 0.20 10.64 -1.19 -4.83 117.38 113.39 2jko n GLN 477 Ca 0.10 0.04 -0.32 0.00 -1.83 0.00 0.00 57.00 54.99 2jko n GLN 477 Cb 0.54 -1.50 -0.11 0.00 -0.86 0.00 0.00 30.24 28.31 2jko n GLN 477 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 2jko s PHE 478 N -2.84 2.87 -0.31 2.61 0.08 -0.83 -5.08 117.98 114.48 2jko s PHE 478 Ca 0.17 -0.05 0.00 0.00 0.12 0.00 0.00 56.93 57.18 2jko s PHE 478 Cb 0.18 -1.62 0.14 0.00 -0.57 0.00 0.00 43.02 41.15 2jko s PHE 478 CO 0.46 0.35 0.31 0.34 -0.10 0.00 0.00 175.22 176.57 2jko s ASP 479 N -1.27 1.59 -0.09 1.36 2.15 -1.26 -4.90 116.67 114.26 2jko s ASP 479 Ca 0.16 -0.95 -0.12 0.00 0.43 0.00 0.00 52.55 52.07 2jko s ASP 479 Cb -0.11 0.50 0.03 0.00 -0.30 0.00 0.00 42.92 43.04 2jko s ASP 479 CO 0.06 -0.36 0.31 -2.28 -0.17 0.00 0.00 175.17 172.72 2jko s HIS 480 N 2.15 -0.29 0.66 -5.34 2.46 -1.26 -5.04 115.29 108.63 2jko s HIS 480 Ca 0.11 0.66 0.41 0.00 0.47 0.00 0.00 55.06 56.71 2jko s HIS 480 Cb -0.14 0.11 2.25 0.00 -0.13 0.00 0.00 32.58 34.66 2jko s HIS 480 CO -0.26 -0.23 2.28 -1.35 -2.47 0.00 0.00 174.74 172.71 2jko h PRO 481 N 5.13 0.00 -0.12 2.88 0.11 -2.00 -2.45 132.00 135.54 2jko h PRO 481 Ca -0.27 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.78 2jko h PRO 481 Cb 1.19 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 2jko h PRO 481 CO 0.34 0.00 -0.26 0.72 -0.21 0.00 0.00 178.00 178.59 2jko n HIS 482 N -3.11 0.39 -4.52 0.65 8.25 -1.26 -4.91 115.22 110.71 2jko n HIS 482 Ca -0.03 -1.41 -0.24 0.00 -0.26 0.00 0.00 57.72 55.79 2jko n HIS 482 Cb 0.13 -0.31 -0.16 0.00 1.12 0.00 0.00 29.99 30.77 2jko n HIS 482 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2jko s ILE 483 N -3.16 1.03 0.30 1.59 1.01 -0.93 -0.44 121.20 120.61 2jko s ILE 483 Ca 0.39 -0.43 -0.30 0.00 0.00 0.00 0.00 60.65 60.31 2jko s ILE 483 Cb 0.36 -0.95 -0.12 0.00 0.01 0.00 0.00 42.46 41.77 2jko s ILE 483 CO -0.02 0.33 1.47 1.33 0.00 0.00 0.00 174.94 178.04 2jko n VAL 484 N 3.74 1.30 -3.53 2.92 0.24 -0.50 -4.60 118.33 117.91 2jko n VAL 484 Ca -0.22 -0.33 -0.38 0.00 -2.04 0.00 0.00 64.34 61.37 2jko n VAL 484 Cb 0.52 -1.74 -0.06 0.00 -1.47 0.00 0.00 33.84 31.08 2jko n VAL 484 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2jko s LYS 485 N -0.93 3.94 -0.03 7.34 2.20 -1.26 -4.90 119.74 126.10 2jko s LYS 485 Ca 0.62 0.33 -0.30 0.00 -0.36 0.00 0.00 55.97 56.27 2jko s LYS 485 Cb -0.55 -3.25 -0.04 0.00 -1.51 0.00 0.00 37.83 32.48 2jko s LYS 485 CO 0.53 0.61 1.18 -1.17 -0.36 0.00 0.00 175.35 176.15 2jko s LEU 486 N -0.79 4.30 -0.18 5.43 2.96 -1.26 -0.78 118.68 128.36 2jko s LEU 486 Ca 0.22 1.84 -0.12 0.00 -0.22 0.00 0.00 54.13 55.86 2jko s LEU 486 Cb -0.16 -3.56 -0.21 0.00 0.50 0.00 0.00 46.19 42.76 2jko s LEU 486 CO 0.11 -0.54 0.17 -0.38 -1.32 0.00 0.00 176.35 174.39 2jko n ILE 487 N 4.42 1.64 -2.70 6.68 2.08 0.36 -4.91 119.36 126.93 2jko n ILE 487 Ca 0.10 -0.40 0.00 0.00 0.56 0.00 0.00 62.75 63.01 2jko n ILE 487 Cb 0.47 -1.82 0.00 0.00 -0.75 0.00 0.00 39.64 37.54 2jko n ILE 487 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2jko n GLY 488 N 1.75 -1.39 3.13 7.39 0.00 -0.90 -4.93 105.19 110.24 2jko n GLY 488 Ca -0.36 -0.99 -0.12 0.00 0.00 0.00 0.00 46.02 44.54 2jko n GLY 488 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2jko s VAL 489 N -2.80 0.68 -0.28 1.61 -7.23 0.02 -0.14 120.40 112.26 2jko s VAL 489 Ca 0.00 -1.52 0.03 0.00 -1.81 0.00 0.00 61.98 58.68 2jko s VAL 489 Cb 0.00 -1.18 0.07 0.00 0.56 0.00 0.00 36.38 35.83 2jko s VAL 489 CO 0.00 -0.61 -0.07 -0.63 -0.31 0.00 0.00 175.10 173.48 2jko s ILE 490 N -2.47 2.12 -1.92 -0.62 1.01 0.19 -1.07 121.20 118.44 2jko s ILE 490 Ca 0.02 -1.75 0.26 0.00 0.00 0.00 0.00 60.65 59.18 2jko s ILE 490 Cb -0.03 -2.32 0.30 0.00 0.01 0.00 0.00 42.46 40.43 2jko s ILE 490 CO -0.02 -0.17 1.57 0.35 0.00 0.00 0.00 174.94 176.67 2jko n THR 491 N 4.42 0.00 -3.83 2.92 -2.24 -1.26 -1.83 114.28 112.45 2jko n THR 491 Ca -0.10 -0.16 -0.29 0.00 -2.27 0.00 0.00 64.05 61.23 2jko n THR 491 Cb 0.42 0.47 -0.04 0.00 -2.10 0.00 0.00 70.33 69.09 2jko n THR 491 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2jko s GLU 492 N -2.41 3.49 0.21 -0.78 -1.05 -1.26 -4.85 118.70 112.05 2jko s GLU 492 Ca 0.26 -0.41 -0.30 0.00 -0.15 0.00 0.00 54.97 54.38 2jko s GLU 492 Cb 0.19 -2.94 -0.09 0.00 -0.44 0.00 0.00 34.13 30.85 2jko s GLU 492 CO 0.49 0.51 1.37 -0.80 0.95 0.00 0.00 175.26 177.78 2jko s ASN 493 N -2.86 6.80 0.05 0.83 0.02 -1.26 -2.97 114.94 115.55 2jko s ASN 493 Ca 0.37 2.49 -0.31 0.00 -1.02 0.00 0.00 52.86 54.39 2jko s ASN 493 Cb -0.12 -2.61 -0.05 0.00 0.02 0.00 0.00 41.25 38.48 2jko s ASN 493 CO 0.28 -0.60 1.20 -2.16 0.02 0.00 0.00 177.10 175.84 2jko s PRO 494 N -0.08 4.43 0.08 -0.60 0.04 -1.26 -5.12 135.00 132.48 2jko s PRO 494 Ca 0.58 1.76 -0.31 0.00 0.04 0.00 0.00 61.00 63.08 2jko s PRO 494 Cb -0.39 -3.36 -0.07 0.00 0.04 0.00 0.00 34.50 30.72 2jko s PRO 494 CO 0.39 -0.27 1.29 0.08 0.04 0.00 0.00 177.00 178.53 2jko s VAL 495 N 1.15 3.71 0.02 -0.36 1.01 -1.16 -4.92 120.40 119.85 2jko s VAL 495 Ca 0.59 1.22 0.07 0.00 0.00 0.00 0.00 61.98 63.86 2jko s VAL 495 Cb -0.29 -3.78 -0.02 0.00 0.00 0.00 0.00 36.38 32.28 2jko s VAL 495 CO 0.29 0.09 -0.20 0.26 0.00 0.00 0.00 175.10 175.54 2jko s TRP 496 N 1.10 1.80 -0.16 5.22 0.51 -0.76 -3.77 118.94 122.88 2jko s TRP 496 Ca 0.61 -0.36 -0.02 0.00 -2.12 0.00 0.00 56.10 54.21 2jko s TRP 496 Cb -0.33 -1.11 -0.02 0.00 -0.81 0.00 0.00 33.47 31.20 2jko s TRP 496 CO 0.30 0.04 -0.07 0.42 -0.51 0.00 0.00 176.95 177.12 2jko s ILE 497 N -0.66 3.48 -0.27 2.03 1.01 -0.56 -0.64 121.20 125.59 2jko s ILE 497 Ca 0.08 -0.50 -0.09 0.00 0.00 0.00 0.00 60.65 60.13 2jko s ILE 497 Cb -0.08 -2.51 -0.04 0.00 0.01 0.00 0.00 42.46 39.83 2jko s ILE 497 CO 0.01 0.49 0.14 -0.63 0.00 0.00 0.00 174.94 174.95 2jko s ILE 498 N 0.59 4.86 0.24 2.92 -1.09 0.80 -0.78 121.20 128.74 2jko s ILE 498 Ca -0.05 -0.01 0.12 0.00 -2.23 0.00 0.00 60.65 58.48 2jko s ILE 498 Cb -0.15 -3.31 -0.05 0.00 -1.58 0.00 0.00 42.46 37.37 2jko s ILE 498 CO 0.03 0.27 -0.21 -0.04 -1.23 0.00 0.00 174.94 173.76 2jko s MET 499 N 1.69 1.65 0.26 2.79 -1.94 0.55 -0.48 119.30 123.81 2jko s MET 499 Ca 0.07 -1.63 -0.30 0.00 -1.71 0.00 0.00 55.69 52.11 2jko s MET 499 Cb -0.16 -1.83 -0.14 0.00 2.01 0.00 0.00 34.83 34.71 2jko s MET 499 CO 0.08 0.37 1.31 -1.91 -0.01 0.00 0.00 175.02 174.86 2jko n GLU 500 N -0.21 1.87 -3.13 2.03 2.13 0.04 -0.47 120.64 122.91 2jko n GLU 500 Ca -0.09 0.66 -0.39 0.00 0.66 0.00 0.00 57.16 58.01 2jko n GLU 500 Cb 0.58 -2.26 -0.05 0.00 0.27 0.00 0.00 31.44 29.98 2jko n GLU 500 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 2jko s LEU 501 N -0.01 4.36 -0.55 4.31 2.96 -1.26 -4.29 118.68 124.20 2jko s LEU 501 Ca 0.65 1.15 -0.12 0.00 -0.22 0.00 0.00 54.13 55.60 2jko s LEU 501 Cb -0.66 -2.99 0.14 0.00 0.50 0.00 0.00 46.19 43.18 2jko s LEU 501 CO 0.53 -0.02 0.46 0.00 -1.32 0.00 0.00 176.35 176.01 2jko h THR 503 N 5.81 0.99 -0.01 0.00 1.03 -1.71 -2.00 112.91 117.02 2jko h THR 503 Ca -0.19 -0.34 0.00 0.00 -0.01 0.00 0.00 66.41 65.87 2jko h THR 503 Cb 1.07 1.19 0.00 0.00 -1.07 0.00 0.00 68.15 69.34 2jko h THR 503 CO 0.90 0.10 -0.13 0.18 -0.01 0.00 0.00 175.52 176.56 2jko n LEU 504 N -4.30 0.95 0.00 0.00 4.77 -0.48 -5.03 117.00 112.90 2jko n LEU 504 Ca -0.03 -0.24 0.00 0.00 -0.03 0.00 0.00 56.01 55.71 2jko n LEU 504 Cb 0.18 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 2jko n LEU 504 CO 0.34 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 2jko n GLY 505 N 1.25 -0.34 3.75 -0.72 0.00 -0.75 -4.75 105.19 103.62 2jko n GLY 505 Ca 0.16 -1.20 -0.41 0.00 0.00 0.00 0.00 46.02 44.57 2jko n GLY 505 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jko s GLU 506 N 0.00 4.49 0.12 1.61 2.02 -1.26 -0.07 118.70 125.60 2jko s GLU 506 Ca 0.00 1.95 -0.19 0.00 0.02 0.00 0.00 54.97 56.75 2jko s GLU 506 Cb 0.00 -3.19 -0.05 0.00 0.10 0.00 0.00 34.13 30.99 2jko s GLU 506 CO 0.00 -0.05 1.72 1.25 0.02 0.00 0.00 175.26 178.20 2jko h LEU 507 N 4.53 0.31 -0.21 1.80 5.85 -1.47 -2.17 115.31 123.95 2jko h LEU 507 Ca -0.46 -0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.23 2jko h LEU 507 Cb 1.22 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 42.11 2jko h LEU 507 CO 0.71 0.30 -0.13 0.03 -0.34 0.00 0.00 178.44 179.02 2jko h ARG 508 N 0.30 -0.11 -0.50 1.25 3.08 -1.83 0.18 114.38 116.76 2jko h ARG 508 Ca 0.09 0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.18 2jko h ARG 508 Cb 0.05 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.09 2jko h ARG 508 CO -0.01 -0.07 0.27 1.03 -1.07 0.00 0.00 179.97 180.11 2jko h SER 509 N -0.12 0.41 -0.45 7.04 0.87 -1.92 -1.42 113.55 117.97 2jko h SER 509 Ca 0.12 0.02 0.05 0.00 -1.23 0.00 0.00 61.79 60.75 2jko h SER 509 Cb 0.29 -0.07 -0.05 0.00 -0.44 0.00 0.00 62.40 62.14 2jko h SER 509 CO -0.28 0.29 0.17 0.15 -0.53 0.00 0.00 176.83 176.63 2jko h PHE 510 N 0.54 0.31 -0.29 2.24 3.57 -0.69 -0.82 116.94 121.80 2jko h PHE 510 Ca 0.21 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.59 2jko h PHE 510 Cb 0.08 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 2jko h PHE 510 CO -0.09 0.12 -0.38 -0.07 -2.23 0.00 0.00 178.31 175.67 2jko h LEU 511 N 0.35 0.71 -0.22 0.59 3.38 -0.77 -2.06 115.31 117.30 2jko h LEU 511 Ca 0.21 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 2jko h LEU 511 Cb 0.18 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2jko h LEU 511 CO -0.20 1.02 0.03 1.56 0.09 0.00 0.00 178.44 180.95 2jko h GLN 512 N 0.56 0.36 -0.00 1.13 4.20 -0.91 -2.20 115.11 118.24 2jko h GLN 512 Ca 0.05 -0.10 -0.13 0.00 0.06 0.00 0.00 58.65 58.53 2jko h GLN 512 Cb 0.91 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.63 2jko h GLN 512 CO 0.08 0.51 -0.61 -0.39 -0.67 0.00 0.00 178.83 177.75 2jko h VAL 513 N 0.16 1.44 -0.54 -0.54 -1.51 -1.14 -3.23 116.25 110.89 2jko h VAL 513 Ca 0.07 -2.09 -0.17 0.00 -1.23 0.00 0.00 66.70 63.28 2jko h VAL 513 Cb 0.33 2.12 -0.10 0.00 -2.13 0.00 0.00 31.29 31.51 2jko h VAL 513 CO 0.00 0.60 0.14 0.54 -1.23 0.00 0.00 177.57 177.62 2jko n ARG 514 N -3.82 3.01 -0.24 5.19 1.74 -0.78 -4.77 116.66 117.00 2jko n ARG 514 Ca -0.01 -3.04 0.02 0.00 -0.77 0.00 0.00 57.85 54.04 2jko n ARG 514 Cb 0.61 -2.03 0.14 0.00 -1.02 0.00 0.00 32.46 30.16 2jko n ARG 514 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 2jko h LYS 515 N 1.97 0.52 -0.65 5.56 3.64 -1.41 -1.83 116.57 124.37 2jko h LYS 515 Ca 0.20 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 2jko h LYS 515 Cb 1.98 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 33.68 2jko h LYS 515 CO 0.54 0.34 0.00 1.19 -2.27 0.00 0.00 179.45 179.26 2jko n PHE 516 N -4.91 1.67 -0.01 1.91 3.72 -1.26 -4.14 117.46 114.43 2jko n PHE 516 Ca 0.11 -0.64 0.00 0.00 -0.05 0.00 0.00 57.45 56.88 2jko n PHE 516 Cb 0.30 -0.31 -0.02 0.00 -0.94 0.00 0.00 39.48 38.51 2jko n PHE 516 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2jko n SER 517 N 1.04 4.46 -4.72 4.37 7.64 -0.76 -5.01 113.62 120.65 2jko n SER 517 Ca 0.27 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.75 2jko n SER 517 Cb 0.98 0.87 -0.05 0.00 -1.01 0.00 0.00 64.21 65.00 2jko n SER 517 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2jko s LEU 518 N -3.59 4.31 0.60 -3.43 1.43 -0.77 -5.06 118.68 112.17 2jko s LEU 518 Ca -0.01 1.16 -0.13 0.00 -1.03 0.00 0.00 54.13 54.12 2jko s LEU 518 Cb 0.01 -3.06 -0.04 0.00 0.03 0.00 0.00 46.19 43.13 2jko s LEU 518 CO 0.09 -0.11 1.02 1.51 0.23 0.00 0.00 176.35 179.09 2jko s ASP 519 N 0.80 6.16 0.33 2.29 -4.77 -1.26 -4.96 116.67 115.25 2jko s ASP 519 Ca 0.37 1.54 0.05 0.00 -3.30 0.00 0.00 52.55 51.21 2jko s ASP 519 Cb -0.17 -2.49 0.68 0.00 -1.09 0.00 0.00 42.92 39.84 2jko s ASP 519 CO 0.17 -0.91 1.89 0.25 0.70 0.00 0.00 175.17 177.27 2jko h LEU 520 N 0.08 0.78 -1.05 2.11 5.85 -1.97 -1.47 115.31 119.63 2jko h LEU 520 Ca -0.45 0.03 0.13 0.00 0.84 0.00 0.00 57.88 58.43 2jko h LEU 520 Cb 1.19 -0.13 -0.08 0.00 0.37 0.00 0.00 40.66 42.01 2jko h LEU 520 CO 0.60 0.45 0.62 0.00 -0.34 0.00 0.00 178.44 179.77 2jko h ALA 521 N 1.56 1.58 -0.37 1.25 0.00 -1.93 -1.05 119.26 120.31 2jko h ALA 521 Ca 0.42 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.30 2jko h ALA 521 Cb 0.46 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2jko h ALA 521 CO -0.18 0.16 0.02 0.77 0.00 0.00 0.00 179.25 180.02 2jko h SER 522 N 0.93 0.61 -0.66 0.00 0.02 -1.65 -0.78 113.55 112.04 2jko h SER 522 Ca 0.50 -0.29 -0.00 0.00 -0.84 0.00 0.00 61.79 61.15 2jko h SER 522 Cb 0.56 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.91 2jko h SER 522 CO -0.27 0.75 0.39 -0.07 -1.14 0.00 0.00 176.83 176.50 2jko h LEU 523 N 0.45 0.79 -0.60 5.07 3.38 -1.20 -1.24 115.31 121.96 2jko h LEU 523 Ca 0.11 -0.06 -0.10 0.00 0.09 0.00 0.00 57.88 57.91 2jko h LEU 523 Cb 0.43 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 2jko h LEU 523 CO 0.01 0.62 -0.03 0.40 0.09 0.00 0.00 178.44 179.53 2jko h ILE 524 N 0.89 1.27 -0.57 1.22 2.04 -1.14 -2.40 117.51 118.82 2jko h ILE 524 Ca 0.24 -1.19 0.09 0.00 1.00 0.00 0.00 64.86 64.99 2jko h ILE 524 Cb -0.02 0.83 -0.07 0.00 -0.74 0.00 0.00 36.82 36.82 2jko h ILE 524 CO -0.04 0.43 0.20 0.25 0.00 0.00 0.00 178.15 178.98 2jko h LEU 525 N 0.97 0.18 -0.41 1.44 5.85 -0.73 0.13 115.31 122.74 2jko h LEU 525 Ca 0.17 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.95 2jko h LEU 525 Cb 0.60 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 2jko h LEU 525 CO 0.04 0.12 0.23 1.88 -0.34 0.00 0.00 178.44 180.37 2jko h TYR 526 N 0.37 0.57 -0.47 1.25 0.05 -0.83 0.23 116.97 118.14 2jko h TYR 526 Ca 0.28 -0.01 0.06 0.00 0.05 0.00 0.00 58.73 59.12 2jko h TYR 526 Cb 0.34 -0.18 -0.06 0.00 1.01 0.00 0.00 36.73 37.85 2jko h TYR 526 CO -0.18 0.43 0.15 0.00 -1.05 0.00 0.00 178.16 177.51 2jko h ALA 527 N 1.09 0.55 -0.24 3.88 0.00 -1.04 -1.20 119.26 122.30 2jko h ALA 527 Ca 0.15 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 2jko h ALA 527 Cb 0.04 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2jko h ALA 527 CO -0.02 -0.24 0.12 -0.92 0.00 0.00 0.00 179.25 178.18 2jko h TYR 528 N 0.31 0.35 -0.49 0.00 3.20 -0.35 -1.07 116.97 118.93 2jko h TYR 528 Ca 0.22 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.09 2jko h TYR 528 Cb 0.24 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.38 2jko h TYR 528 CO -0.17 0.33 0.32 1.96 -1.64 0.00 0.00 178.16 178.96 2jko h GLN 529 N 0.27 0.63 -0.86 1.82 4.20 -0.75 -1.62 115.11 118.80 2jko h GLN 529 Ca 0.08 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.76 2jko h GLN 529 Cb 0.11 -0.14 -0.04 0.00 0.30 0.00 0.00 27.48 27.70 2jko h GLN 529 CO -0.01 0.42 0.55 -0.07 -0.67 0.00 0.00 178.83 179.05 2jko h LEU 530 N 0.65 1.00 -1.58 1.46 3.38 -1.03 -2.11 115.31 117.08 2jko h LEU 530 Ca 0.18 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 2jko h LEU 530 Cb -0.06 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.42 2jko h LEU 530 CO -0.05 0.74 0.11 0.77 0.09 0.00 0.00 178.44 180.11 2jko h SER 531 N 1.17 0.34 -0.54 -0.43 4.64 -0.42 -0.28 113.55 118.03 2jko h SER 531 Ca 0.31 -0.03 -0.08 0.00 -0.47 0.00 0.00 61.79 61.52 2jko h SER 531 Cb -0.10 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 61.88 2jko h SER 531 CO -0.06 0.32 0.02 0.71 -0.87 0.00 0.00 176.83 176.95 2jko h THR 532 N 0.39 1.26 -0.56 2.95 1.35 -0.66 0.12 112.91 117.75 2jko h THR 532 Ca 0.10 -1.07 -0.05 0.00 -0.55 0.00 0.00 66.41 64.84 2jko h THR 532 Cb 0.09 0.88 -0.02 0.00 -1.73 0.00 0.00 68.15 67.37 2jko h THR 532 CO -0.01 0.38 0.15 0.00 -0.25 0.00 0.00 175.52 175.79 2jko h ALA 533 N 0.96 0.74 -0.07 6.62 0.00 -0.96 -1.52 119.26 125.03 2jko h ALA 533 Ca 0.16 -0.21 -0.17 0.00 0.00 0.00 0.00 54.91 54.68 2jko h ALA 533 Cb 0.50 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2jko h ALA 533 CO 0.02 0.43 -0.71 -0.07 0.00 0.00 0.00 179.25 178.92 2jko h LEU 534 N 0.79 0.41 -0.92 0.00 3.38 -0.92 -0.48 115.31 117.56 2jko h LEU 534 Ca 0.18 -0.27 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 2jko h LEU 534 Cb 0.33 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 2jko h LEU 534 CO -0.00 0.99 0.18 0.00 0.09 0.00 0.00 178.44 179.69 2jko h ALA 535 N 1.00 1.13 -0.04 1.53 0.00 -0.67 0.11 119.26 122.32 2jko h ALA 535 Ca -0.02 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 2jko h ALA 535 Cb 1.27 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 2jko h ALA 535 CO 0.12 0.59 0.02 -0.92 0.00 0.00 0.00 179.25 179.06 2jko h TYR 536 N 0.93 0.06 -0.80 0.00 3.20 -0.95 -0.51 116.97 118.91 2jko h TYR 536 Ca 0.20 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.09 2jko h TYR 536 Cb 0.30 -0.02 -0.05 0.00 1.54 0.00 0.00 36.73 38.50 2jko h TYR 536 CO 0.02 0.16 0.52 -0.07 -1.64 0.00 0.00 178.16 177.15 2jko h LEU 537 N -0.05 0.87 -0.95 2.82 3.38 -0.73 -1.65 115.31 119.00 2jko h LEU 537 Ca 0.02 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.98 2jko h LEU 537 Cb 0.12 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.62 2jko h LEU 537 CO -0.00 0.61 0.63 -0.08 0.09 0.00 0.00 178.44 179.69 2jko h GLU 538 N 1.03 1.26 0.00 1.13 4.81 -0.60 -0.94 114.58 121.26 2jko h GLU 538 Ca 0.31 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.44 2jko h GLU 538 Cb -0.03 -0.28 -0.00 0.00 0.63 0.00 0.00 28.75 29.06 2jko h GLU 538 CO -0.10 0.83 -0.10 0.66 -0.73 0.00 0.00 179.01 179.57 2jko h SER 539 N 1.29 0.00 -0.16 1.04 4.64 -0.21 -0.52 113.55 119.64 2jko h SER 539 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 2jko h SER 539 Cb -0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.94 2jko h SER 539 CO -0.08 0.10 0.00 0.29 -0.87 0.00 0.00 176.83 176.28 2jko n LYS 540 N -3.40 1.81 -3.19 4.77 5.02 -0.55 -4.94 118.16 117.68 2jko n LYS 540 Ca -0.01 -1.21 -0.23 0.00 -2.02 0.00 0.00 58.31 54.84 2jko n LYS 540 Cb 0.27 -1.42 0.04 0.00 -0.02 0.00 0.00 35.03 33.90 2jko n LYS 540 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2jko n ARG 541 N 0.44 -5.14 -3.88 1.97 1.74 -0.20 -4.98 116.66 106.61 2jko n ARG 541 Ca 0.17 0.82 -0.36 0.00 -0.77 0.00 0.00 57.85 57.71 2jko n ARG 541 Cb 0.37 -5.70 -0.12 0.00 -1.02 0.00 0.00 32.46 25.99 2jko n ARG 541 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 2jko s PHE 542 N -3.17 3.14 -0.25 -1.55 5.36 -0.47 -5.03 117.98 116.01 2jko s PHE 542 Ca 0.37 -0.23 -0.10 0.00 -0.96 0.00 0.00 56.93 56.01 2jko s PHE 542 Cb -0.17 -2.18 -0.05 0.00 -0.34 0.00 0.00 43.02 40.28 2jko s PHE 542 CO 0.46 -0.17 0.16 0.08 -1.46 0.00 0.00 175.22 174.29 2jko s VAL 543 N 1.16 5.28 -0.14 3.12 1.01 -1.26 -4.29 120.40 125.28 2jko s VAL 543 Ca 0.04 0.15 -0.26 0.00 0.00 0.00 0.00 61.98 61.92 2jko s VAL 543 Cb -0.14 -3.47 -0.26 0.00 0.00 0.00 0.00 36.38 32.51 2jko s VAL 543 CO 0.03 0.33 0.68 -0.74 0.00 0.00 0.00 175.10 175.40 2jko h HIS 544 N 7.71 0.10 0.00 5.22 2.76 -1.98 -3.48 115.15 125.48 2jko h HIS 544 Ca -0.37 -0.07 0.00 0.00 -2.20 0.00 0.00 60.37 57.73 2jko h HIS 544 Cb 1.17 -0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.13 2jko h HIS 544 CO 0.69 1.15 0.00 0.54 -1.30 0.00 0.00 177.93 179.01 2jko n ARG 545 N -4.48 0.00 -2.72 5.26 1.74 -1.26 -4.82 116.66 110.39 2jko n ARG 545 Ca -0.15 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 56.87 2jko n ARG 545 Cb 0.58 -2.37 0.06 0.00 -1.02 0.00 0.00 32.46 29.71 2jko n ARG 545 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2jko n ASP 546 N 0.00 0.72 -4.67 0.55 2.03 -1.26 -5.00 116.55 108.93 2jko n ASP 546 Ca 0.00 -2.44 -0.42 0.00 0.52 0.00 0.00 54.79 52.44 2jko n ASP 546 Cb 0.00 -0.18 -0.03 0.00 -0.72 0.00 0.00 41.12 40.19 2jko n ASP 546 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2jko s ILE 547 N -2.53 4.78 -0.11 5.18 1.01 -1.26 -4.85 121.20 123.41 2jko s ILE 547 Ca 0.25 1.85 -0.30 0.00 0.00 0.00 0.00 60.65 62.45 2jko s ILE 547 Cb 0.41 -4.23 0.12 0.00 0.01 0.00 0.00 42.46 38.76 2jko s ILE 547 CO -0.02 -0.07 0.95 0.00 0.00 0.00 0.00 174.94 175.80 2jko s ALA 548 N 2.62 -1.90 0.48 9.38 0.00 -1.26 -4.62 121.76 126.46 2jko s ALA 548 Ca 0.42 1.42 0.14 0.00 0.00 0.00 0.00 51.96 53.95 2jko s ALA 548 Cb -0.16 -0.36 1.14 0.00 0.00 0.00 0.00 23.12 23.74 2jko s ALA 548 CO 0.10 -0.41 2.08 0.00 0.00 0.00 0.00 175.76 177.53 2jko h ALA 549 N 2.44 1.99 -0.02 0.00 0.00 -1.92 -1.31 119.26 120.44 2jko h ALA 549 Ca -0.20 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2jko h ALA 549 Cb 1.18 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 2jko h ALA 549 CO 0.31 -0.03 0.18 0.07 0.00 0.00 0.00 179.25 179.78 2jko h ARG 550 N 0.21 0.00 -0.41 0.00 0.11 -1.96 -1.86 114.38 110.47 2jko h ARG 550 Ca 0.12 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.20 2jko h ARG 550 Cb 0.20 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.28 2jko h ARG 550 CO -0.02 0.00 0.00 0.09 0.10 0.00 0.00 179.97 180.14 2jko n ASN 551 N -3.04 4.25 -4.53 0.08 3.02 -0.49 -4.90 115.26 109.65 2jko n ASN 551 Ca -0.02 -2.72 -0.33 0.00 -0.03 0.00 0.00 54.58 51.48 2jko n ASN 551 Cb 0.24 -0.52 -0.12 0.00 -0.61 0.00 0.00 39.78 38.77 2jko n ASN 551 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2jko s VAL 552 N -2.31 3.36 0.23 2.41 1.01 -0.70 -0.55 120.40 123.84 2jko s VAL 552 Ca 0.43 -0.61 0.11 0.00 0.00 0.00 0.00 61.98 61.91 2jko s VAL 552 Cb 0.32 -2.34 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 2jko s VAL 552 CO 0.15 0.59 -0.15 -0.76 0.00 0.00 0.00 175.10 174.93 2jko s LEU 553 N -0.77 2.76 -0.30 3.92 1.43 -0.14 -1.44 118.68 124.15 2jko s LEU 553 Ca 0.12 -0.79 -0.05 0.00 -1.03 0.00 0.00 54.13 52.38 2jko s LEU 553 Cb -0.11 -1.39 0.03 0.00 0.03 0.00 0.00 46.19 44.76 2jko s LEU 553 CO 0.01 0.07 0.05 -0.69 0.23 0.00 0.00 176.35 176.02 2jko s VAL 554 N -2.02 3.50 -0.00 -1.59 1.01 0.90 -0.95 120.40 121.24 2jko s VAL 554 Ca 0.26 -1.04 -0.06 0.00 0.00 0.00 0.00 61.98 61.14 2jko s VAL 554 Cb -0.07 -2.90 -0.29 0.00 0.00 0.00 0.00 36.38 33.12 2jko s VAL 554 CO 0.15 -0.02 0.85 -1.28 0.00 0.00 0.00 175.10 174.79 2jko h SER 555 N 8.14 0.48 -5.06 3.32 0.87 -1.09 -1.26 113.55 118.95 2jko h SER 555 Ca -0.27 -0.65 0.01 0.00 -1.23 0.00 0.00 61.79 59.66 2jko h SER 555 Cb 1.09 -0.16 -0.08 0.00 -0.44 0.00 0.00 62.40 62.82 2jko h SER 555 CO 0.58 1.54 0.12 0.00 -0.53 0.00 0.00 176.83 178.54 2jko s ALA 556 N -2.61 -1.05 -0.04 6.23 0.00 -0.93 -4.10 121.76 119.26 2jko s ALA 556 Ca -0.10 -0.25 0.29 0.00 0.00 0.00 0.00 51.96 51.89 2jko s ALA 556 Cb 0.06 0.89 1.43 0.00 0.00 0.00 0.00 23.12 25.49 2jko s ALA 556 CO 0.86 -0.91 1.87 1.79 0.00 0.00 0.00 175.76 179.37 2jko h THR 557 N 2.09 0.00 -0.19 0.00 1.35 -2.03 -1.18 112.91 112.96 2jko h THR 557 Ca -0.25 -0.12 -0.05 0.00 -0.55 0.00 0.00 66.41 65.45 2jko h THR 557 Cb 1.26 0.83 -0.03 0.00 -1.73 0.00 0.00 68.15 68.48 2jko h THR 557 CO 0.31 0.00 -0.07 -0.90 -0.25 0.00 0.00 175.52 174.61 2jko n ASP 558 N -2.53 2.88 -3.45 5.36 5.75 -1.26 -4.98 116.55 118.32 2jko n ASP 558 Ca -0.01 -3.33 -0.03 0.00 -0.01 0.00 0.00 54.79 51.41 2jko n ASP 558 Cb 0.12 -0.54 -0.06 0.00 -1.03 0.00 0.00 41.12 39.62 2jko n ASP 558 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2jko s VAL 560 N 2.73 3.62 -0.02 0.00 -7.23 -1.26 -0.51 120.40 117.74 2jko s VAL 560 Ca 0.07 -1.78 -0.04 0.00 -1.81 0.00 0.00 61.98 58.42 2jko s VAL 560 Cb -0.14 -2.92 0.00 0.00 0.56 0.00 0.00 36.38 33.88 2jko s VAL 560 CO -0.17 -0.33 0.09 -0.54 -0.31 0.00 0.00 175.10 173.84 2jko s LYS 561 N -3.59 0.24 0.20 4.82 1.02 -0.13 -4.71 119.74 117.59 2jko s LYS 561 Ca 0.31 -0.10 -0.32 0.00 0.02 0.00 0.00 55.97 55.88 2jko s LYS 561 Cb -0.07 0.10 -0.11 0.00 -0.52 0.00 0.00 37.83 37.23 2jko s LYS 561 CO 0.20 -0.04 1.68 -0.51 -0.92 0.00 0.00 175.35 175.76 2jko s LEU 562 N -0.52 4.37 1.02 3.17 1.43 0.42 -0.97 118.68 127.61 2jko s LEU 562 Ca -0.06 2.81 -0.17 0.00 -1.03 0.00 0.00 54.13 55.69 2jko s LEU 562 Cb -0.04 -3.60 0.22 0.00 0.03 0.00 0.00 46.19 42.80 2jko s LEU 562 CO 0.00 -0.93 1.24 -0.83 0.23 0.00 0.00 176.35 176.06 2jko s GLY 563 N 1.14 1.70 0.17 -3.19 0.00 0.28 -1.41 107.32 106.01 2jko s GLY 563 Ca 0.73 -1.06 -0.33 0.00 0.00 0.00 0.00 44.72 44.06 2jko s GLY 563 CO 0.32 -0.28 1.37 1.34 0.00 0.00 0.00 173.10 175.85 2jko n ASP 564 N -4.04 2.25 0.22 1.64 2.03 -1.26 -4.76 116.55 112.62 2jko n ASP 564 Ca 0.14 1.12 0.11 0.00 0.52 0.00 0.00 54.79 56.68 2jko n ASP 564 Cb 0.59 -1.33 0.43 0.00 -0.72 0.00 0.00 41.12 40.10 2jko n ASP 564 CO 0.00 0.00 0.00 -0.26 -1.92 0.00 0.00 177.20 175.02 2jko h PHE 565 N 4.45 0.00 -0.06 -0.67 -1.00 -1.92 -2.72 116.94 115.02 2jko h PHE 565 Ca -0.45 0.00 -0.17 0.00 2.81 0.00 0.00 57.97 60.15 2jko h PHE 565 Cb 1.30 0.00 0.01 0.00 3.61 0.00 0.00 35.95 40.87 2jko h PHE 565 CO 0.58 0.18 -0.64 0.78 -1.61 0.00 0.00 178.31 177.60 2jko h GLY 566 N 2.42 0.60 -7.27 -1.45 0.00 -1.89 -3.52 103.07 91.96 2jko h GLY 566 Ca -0.00 -0.94 -0.53 0.00 0.00 0.00 0.00 47.33 45.85 2jko h GLY 566 CO 0.02 0.83 1.43 1.08 0.00 0.00 0.00 176.54 179.91 2jko s LEU 567 N -8.42 3.46 0.14 3.11 1.43 -1.03 -4.89 118.68 112.48 2jko s LEU 567 Ca -0.12 -1.46 -0.23 0.00 -1.03 0.00 0.00 54.13 51.29 2jko s LEU 567 Cb 0.05 -2.57 -0.08 0.00 0.03 0.00 0.00 46.19 43.63 2jko s LEU 567 CO 0.85 -1.80 0.71 -0.76 0.23 0.00 0.00 176.35 175.58 2jko s LEU 584 N 6.25 4.56 -1.45 1.79 1.43 -1.26 -4.95 118.68 125.06 2jko s LEU 584 Ca 0.53 1.52 -0.11 0.00 -1.03 0.00 0.00 54.13 55.05 2jko s LEU 584 Cb -0.01 -3.19 -0.06 0.00 0.03 0.00 0.00 46.19 42.96 2jko s LEU 584 CO -0.04 0.22 2.64 -0.81 0.23 0.00 0.00 176.35 178.59 2jko n PRO 585 N 1.59 3.19 -0.28 1.29 -0.04 -1.26 -4.75 135.00 134.73 2jko n PRO 585 Ca -0.07 -2.16 0.10 0.00 -0.04 0.00 0.00 63.50 61.33 2jko n PRO 585 Cb 0.49 -2.86 0.25 0.00 -0.04 0.00 0.00 33.50 31.34 2jko n PRO 585 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 2jko h ILE 586 N 3.35 0.50 0.00 0.52 1.08 -1.96 -1.08 117.51 119.93 2jko h ILE 586 Ca 0.74 -0.12 0.00 0.00 -0.39 0.00 0.00 64.86 65.08 2jko h ILE 586 Cb 0.36 0.11 0.00 0.00 -3.07 0.00 0.00 36.82 34.22 2jko h ILE 586 CO 1.77 0.07 0.00 0.29 -0.69 0.00 0.00 178.15 179.59 2jko n LYS 587 N -5.08 0.15 -0.00 2.37 5.02 -1.26 -1.61 118.16 117.74 2jko n LYS 587 Ca 0.19 0.46 0.09 0.00 -2.02 0.00 0.00 58.31 57.02 2jko n LYS 587 Cb 0.56 -1.82 -0.12 0.00 -0.02 0.00 0.00 35.03 33.63 2jko n LYS 587 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 2jko n TRP 588 N -2.10 0.00 -3.17 2.13 8.01 -0.43 -4.92 117.44 116.95 2jko n TRP 588 Ca 0.01 0.00 -0.34 0.00 -1.31 0.00 0.00 57.50 55.86 2jko n TRP 588 Cb 0.16 -0.08 -0.06 0.00 -2.01 0.00 0.00 31.31 29.32 2jko n TRP 588 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.69 175.04 2jko s MET 589 N -2.89 4.09 0.61 -0.99 -1.94 -0.64 -3.84 119.30 113.70 2jko s MET 589 Ca 0.04 0.70 -0.18 0.00 -1.71 0.00 0.00 55.69 54.55 2jko s MET 589 Cb 0.14 -2.71 -0.03 0.00 2.01 0.00 0.00 34.83 34.24 2jko s MET 589 CO 0.78 0.32 1.16 0.00 -0.01 0.00 0.00 175.02 177.26 2jko s ALA 590 N -1.70 2.53 0.30 3.03 0.00 -1.26 -4.83 121.76 119.83 2jko s ALA 590 Ca 0.46 0.82 0.02 0.00 0.00 0.00 0.00 51.96 53.27 2jko s ALA 590 Cb -0.14 -3.39 0.59 0.00 0.00 0.00 0.00 23.12 20.19 2jko s ALA 590 CO 0.19 -1.13 1.85 -1.00 0.00 0.00 0.00 175.76 175.67 2jko h PRO 591 N 0.65 0.93 0.00 0.00 0.13 -1.95 -0.32 132.00 131.44 2jko h PRO 591 Ca -0.49 -0.06 -0.03 0.00 -0.87 0.00 0.00 66.00 64.55 2jko h PRO 591 Cb 1.27 -0.21 -0.00 0.00 0.13 0.00 0.00 31.00 32.19 2jko h PRO 591 CO 0.55 0.61 -0.16 1.05 -0.23 0.00 0.00 178.00 179.82 2jko h GLU 592 N 0.95 0.00 -0.01 0.86 9.09 -1.89 0.10 114.58 123.69 2jko h GLU 592 Ca 0.48 0.00 -0.17 0.00 0.05 0.00 0.00 59.36 59.72 2jko h GLU 592 Cb 0.50 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.61 2jko h GLU 592 CO -0.25 0.16 -0.65 0.77 0.05 0.00 0.00 179.01 179.09 2jko h SER 593 N 0.00 0.60 -0.11 3.06 0.02 -1.11 -1.55 113.55 114.46 2jko h SER 593 Ca -0.00 -0.75 -0.01 0.00 -0.84 0.00 0.00 61.79 60.19 2jko h SER 593 Cb 0.61 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.97 2jko h SER 593 CO 0.02 1.26 0.03 0.40 -1.14 0.00 0.00 176.83 177.40 2jko h ILE 594 N -0.01 1.19 -0.08 3.27 2.04 -0.90 -1.54 117.51 121.48 2jko h ILE 594 Ca -0.08 -0.58 -0.16 0.00 1.00 0.00 0.00 64.86 65.05 2jko h ILE 594 Cb 1.35 1.38 0.01 0.00 -0.74 0.00 0.00 36.82 38.82 2jko h ILE 594 CO 0.13 0.17 -0.56 0.78 0.00 0.00 0.00 178.15 178.66 2jko h ASN 595 N -0.03 0.63 0.00 1.72 -0.26 -0.91 -3.40 115.58 113.33 2jko h ASN 595 Ca 0.03 -0.67 0.00 0.00 -0.56 0.00 0.00 56.30 55.10 2jko h ASN 595 Cb 0.24 -0.19 0.00 0.00 -1.06 0.00 0.00 38.32 37.31 2jko h ASN 595 CO -0.00 1.20 0.00 0.49 -1.06 0.00 0.00 177.43 178.06 2jko n PHE 596 N -4.20 0.00 -2.69 1.19 3.72 -0.62 -5.01 117.46 109.85 2jko n PHE 596 Ca -0.09 -0.14 -0.20 0.00 -0.05 0.00 0.00 57.45 56.97 2jko n PHE 596 Cb 0.64 -0.01 0.01 0.00 -0.94 0.00 0.00 39.48 39.17 2jko n PHE 596 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2jko n ARG 597 N -0.14 -2.97 -2.98 -1.08 5.12 -0.58 -4.95 116.66 109.08 2jko n ARG 597 Ca 0.00 0.88 -0.40 0.00 -1.93 0.00 0.00 57.85 56.39 2jko n ARG 597 Cb 0.33 -5.60 -0.05 0.00 -1.16 0.00 0.00 32.46 25.98 2jko n ARG 597 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 2jko s ARG 598 N -5.34 4.37 -0.11 5.56 3.52 -0.96 -4.94 118.95 121.05 2jko s ARG 598 Ca 0.13 0.92 -0.00 0.00 -0.13 0.00 0.00 55.73 56.65 2jko s ARG 598 Cb -0.06 -3.51 0.02 0.00 -1.56 0.00 0.00 34.95 29.85 2jko s ARG 598 CO 0.16 -0.11 -0.08 -0.06 -0.81 0.00 0.00 175.30 174.40 2jko s PHE 599 N 1.39 1.55 0.29 5.12 0.08 -1.26 -3.36 117.98 121.78 2jko s PHE 599 Ca 0.37 -0.78 0.03 0.00 0.12 0.00 0.00 56.93 56.68 2jko s PHE 599 Cb -0.17 -1.26 -0.03 0.00 -0.57 0.00 0.00 43.02 40.98 2jko s PHE 599 CO 0.16 -0.52 0.25 0.95 -0.10 0.00 0.00 175.22 175.96 2jko s THR 600 N 1.64 0.00 0.49 0.64 -4.23 -1.26 -4.98 115.64 107.94 2jko s THR 600 Ca 0.04 -1.95 0.14 0.00 -1.18 0.00 0.00 61.69 58.74 2jko s THR 600 Cb -0.13 -2.50 0.26 0.00 1.34 0.00 0.00 72.50 71.46 2jko s THR 600 CO -0.08 0.00 2.11 0.28 -0.54 0.00 0.00 174.62 176.39 2jko h SER 601 N 2.29 0.07 -0.08 3.99 0.02 -1.99 -1.46 113.55 116.39 2jko h SER 601 Ca -0.29 -0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.57 2jko h SER 601 Cb 1.24 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.75 2jko h SER 601 CO 0.42 0.08 -0.21 0.00 -1.14 0.00 0.00 176.83 175.97 2jko h ALA 602 N 1.94 1.15 -0.19 3.77 0.00 -1.93 -1.02 119.26 122.96 2jko h ALA 602 Ca 0.02 -0.32 -0.12 0.00 0.00 0.00 0.00 54.91 54.49 2jko h ALA 602 Cb 0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2jko h ALA 602 CO -0.00 0.54 -0.41 0.66 0.00 0.00 0.00 179.25 180.04 2jko h SER 603 N 0.44 0.47 -0.94 0.00 4.64 -1.66 -2.80 113.55 113.70 2jko h SER 603 Ca 0.07 -0.21 0.02 0.00 -0.47 0.00 0.00 61.79 61.20 2jko h SER 603 Cb 0.61 -0.13 -0.05 0.00 -0.31 0.00 0.00 62.40 62.52 2jko h SER 603 CO 0.04 0.83 0.62 0.44 -0.87 0.00 0.00 176.83 177.89 2jko h ASP 604 N 0.37 1.05 -0.56 4.97 3.32 -0.87 -2.49 116.42 122.21 2jko h ASP 604 Ca 0.03 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 2jko h ASP 604 Cb 0.88 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 40.15 2jko h ASP 604 CO 0.07 0.74 0.33 0.58 -1.72 0.00 0.00 179.24 179.25 2jko h VAL 605 N 1.23 1.17 -0.22 -1.35 2.07 -0.97 0.11 116.25 118.30 2jko h VAL 605 Ca 0.36 -0.40 0.04 0.00 0.82 0.00 0.00 66.70 67.52 2jko h VAL 605 Cb -0.08 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 30.07 2jko h VAL 605 CO -0.09 0.18 -0.03 -0.25 0.02 0.00 0.00 177.57 177.39 2jko h TRP 606 N 0.75 -0.08 -0.86 1.57 2.91 -1.25 -0.87 115.95 118.13 2jko h TRP 606 Ca 0.20 0.02 0.02 0.00 1.13 0.00 0.00 58.89 60.26 2jko h TRP 606 Cb -0.00 0.07 -0.05 0.00 -0.51 0.00 0.00 29.16 28.67 2jko h TRP 606 CO -0.02 -0.07 0.56 0.52 -1.03 0.00 0.00 178.44 178.40 2jko h MET 607 N 0.02 1.08 -0.44 2.65 0.00 -0.97 -1.53 114.93 115.76 2jko h MET 607 Ca 0.10 -0.07 -0.03 0.00 0.00 0.00 0.00 59.70 59.71 2jko h MET 607 Cb 0.15 -0.24 -0.02 0.00 0.00 0.00 0.00 31.60 31.48 2jko h MET 607 CO -0.21 0.72 0.15 0.35 0.00 0.00 0.00 176.91 177.92 2jko h PHE 608 N 1.12 0.63 -0.56 -0.22 3.57 -0.26 0.37 116.94 121.59 2jko h PHE 608 Ca 0.33 -0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.82 2jko h PHE 608 Cb -0.05 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.46 2jko h PHE 608 CO -0.02 0.51 0.35 0.78 -2.23 0.00 0.00 178.31 177.71 2jko h GLY 609 N 0.80 0.80 0.97 2.40 0.00 -0.17 0.19 103.07 108.06 2jko h GLY 609 Ca 0.15 -0.27 -0.04 0.00 0.00 0.00 0.00 47.33 47.17 2jko h GLY 609 CO -0.01 0.24 0.15 -2.08 0.00 0.00 0.00 176.54 174.84 2jko h VAL 610 N 0.71 1.23 -0.54 4.60 2.07 -0.81 -1.62 116.25 121.89 2jko h VAL 610 Ca 0.22 -0.76 0.05 0.00 0.82 0.00 0.00 66.70 67.03 2jko h VAL 610 Cb -0.02 0.81 -0.05 0.00 -1.52 0.00 0.00 31.29 30.51 2jko h VAL 610 CO -0.08 0.28 0.27 0.00 0.02 0.00 0.00 177.57 178.06 2jko h MET 612 N 0.52 0.87 -0.30 0.00 2.86 -0.40 -0.82 114.93 117.66 2jko h MET 612 Ca 0.24 -0.05 0.01 0.00 -2.06 0.00 0.00 59.70 57.84 2jko h MET 612 Cb 0.17 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.62 2jko h MET 612 CO -0.18 0.58 0.19 2.35 1.06 0.00 0.00 176.91 180.91 2jko h TRP 613 N 0.90 0.35 -0.61 -0.22 7.01 -0.60 -1.00 115.95 121.77 2jko h TRP 613 Ca 0.30 0.01 0.07 0.00 2.11 0.00 0.00 58.89 61.38 2jko h TRP 613 Cb 0.03 -0.12 -0.06 0.00 -2.10 0.00 0.00 29.16 26.91 2jko h TRP 613 CO -0.04 0.22 0.29 0.93 -2.79 0.00 0.00 178.44 177.05 2jko h GLU 614 N 0.38 0.52 -0.10 2.65 5.08 -0.61 0.35 114.58 122.85 2jko h GLU 614 Ca 0.11 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2jko h GLU 614 Cb -0.03 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.10 2jko h GLU 614 CO -0.04 0.34 0.05 0.82 -1.00 0.00 0.00 179.01 179.19 2jko h ILE 615 N 0.53 1.10 0.00 3.13 2.04 -0.70 -0.17 117.51 123.44 2jko h ILE 615 Ca 0.29 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.88 2jko h ILE 615 Cb 0.27 1.09 0.00 0.00 -0.74 0.00 0.00 36.82 37.44 2jko h ILE 615 CO -0.23 0.09 0.00 -0.07 0.00 0.00 0.00 178.15 177.94 2jko h LEU 616 N 0.06 0.00 -1.34 1.44 4.07 -0.80 -0.95 115.31 117.80 2jko h LEU 616 Ca 0.04 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.00 2jko h LEU 616 Cb 0.09 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.83 2jko h LEU 616 CO -0.01 0.00 0.00 0.23 -1.08 0.00 0.00 178.44 177.58 2jko n MET 617 N -2.52 1.86 -3.66 1.13 2.81 0.08 -4.77 117.12 112.04 2jko n MET 617 Ca 0.02 -1.31 -0.25 0.00 -1.81 0.00 0.00 57.70 54.34 2jko n MET 617 Cb 0.26 -1.36 0.07 0.00 -0.71 0.00 0.00 33.22 31.47 2jko n MET 617 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 2jko n HIS 618 N 0.54 -2.74 -1.25 2.03 8.25 -0.36 -3.37 115.22 118.32 2jko n HIS 618 Ca 0.15 0.99 0.00 0.00 -0.26 0.00 0.00 57.72 58.60 2jko n HIS 618 Cb 0.35 -4.82 0.00 0.00 1.12 0.00 0.00 29.99 26.64 2jko n HIS 618 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2jko n GLY 619 N -1.92 0.58 3.77 -1.41 0.00 -0.11 -3.40 105.19 102.70 2jko n GLY 619 Ca 0.00 -0.81 -0.39 0.00 0.00 0.00 0.00 46.02 44.82 2jko n GLY 619 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jko s VAL 620 N -2.00 4.22 0.45 1.61 1.01 -1.22 -4.94 120.40 119.53 2jko s VAL 620 Ca 0.00 1.88 -0.21 0.00 0.00 0.00 0.00 61.98 63.66 2jko s VAL 620 Cb 0.00 -4.21 -0.10 0.00 0.00 0.00 0.00 36.38 32.07 2jko s VAL 620 CO 0.00 0.48 0.98 -0.54 0.00 0.00 0.00 175.10 176.02 2jko s LYS 621 N -1.25 4.07 0.56 2.72 1.02 -1.26 -4.62 119.74 120.99 2jko s LYS 621 Ca 0.39 1.22 -0.17 0.00 0.02 0.00 0.00 55.97 57.43 2jko s LYS 621 Cb -0.24 -2.16 -0.05 0.00 -0.52 0.00 0.00 37.83 34.86 2jko s LYS 621 CO 0.29 -0.18 1.06 -1.25 -0.92 0.00 0.00 175.35 174.35 2jko s PRO 622 N -3.17 3.44 -1.41 -1.68 0.04 -1.26 -4.07 135.00 126.88 2jko s PRO 622 Ca 0.64 1.28 -0.08 0.00 0.04 0.00 0.00 61.00 62.87 2jko s PRO 622 Cb -0.12 -2.04 0.04 0.00 0.04 0.00 0.00 34.50 32.42 2jko s PRO 622 CO 0.16 -0.72 0.97 1.19 0.04 0.00 0.00 177.00 178.63 2jko n PHE 623 N -1.71 -2.35 -1.79 0.56 3.72 -1.26 -4.92 117.46 109.72 2jko n PHE 623 Ca 0.09 0.92 -0.41 0.00 -0.05 0.00 0.00 57.45 58.00 2jko n PHE 623 Cb 0.53 -4.43 -0.02 0.00 -0.94 0.00 0.00 39.48 34.62 2jko n PHE 623 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 176.76 175.57 2jko s GLN 624 N -6.29 4.13 0.00 -1.08 2.00 -1.26 -1.92 119.66 115.25 2jko s GLN 624 Ca 0.43 2.56 0.00 0.00 -2.00 0.00 0.00 55.36 56.35 2jko s GLN 624 Cb -0.21 -3.03 0.00 0.00 0.80 0.00 0.00 33.01 30.57 2jko s GLN 624 CO 0.79 -0.62 0.00 0.41 -0.50 0.00 0.00 175.29 175.37 2jko n GLY 625 N 2.23 0.42 3.70 2.59 0.00 -1.26 -5.01 105.19 107.86 2jko n GLY 625 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 2jko n GLY 625 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jko s VAL 626 N -1.98 4.81 0.32 1.61 1.01 -0.81 -5.09 120.40 120.27 2jko s VAL 626 Ca 0.00 -0.04 -0.28 0.00 0.00 0.00 0.00 61.98 61.66 2jko s VAL 626 Cb 0.00 -3.12 -0.10 0.00 0.00 0.00 0.00 36.38 33.17 2jko s VAL 626 CO 0.00 0.53 1.16 -0.54 0.00 0.00 0.00 175.10 176.26 2jko s LYS 627 N -0.27 4.44 0.22 2.72 1.02 -1.26 -4.94 119.74 121.66 2jko s LYS 627 Ca 0.08 1.90 -0.13 0.00 0.02 0.00 0.00 55.97 57.85 2jko s LYS 627 Cb -0.12 -3.03 0.27 0.00 -0.52 0.00 0.00 37.83 34.42 2jko s LYS 627 CO 0.02 -0.00 1.62 -0.91 -0.92 0.00 0.00 175.35 175.15 2jko h ASN 628 N 3.42 -0.59 0.00 2.83 -0.26 -1.98 -0.44 115.58 118.56 2jko h ASN 628 Ca -0.48 0.20 0.00 0.00 -0.56 0.00 0.00 56.30 55.46 2jko h ASN 628 Cb 1.22 0.40 0.00 0.00 -1.06 0.00 0.00 38.32 38.88 2jko h ASN 628 CO 0.65 -0.21 0.07 0.78 -1.06 0.00 0.00 177.43 177.66 2jko h ASN 629 N 0.01 0.00 0.38 5.81 2.35 -2.01 -2.07 115.58 120.04 2jko h ASN 629 Ca 0.32 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.07 2jko h ASN 629 Cb 0.50 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.87 2jko h ASN 629 CO -0.68 0.00 -0.51 0.47 -1.65 0.00 0.00 177.43 175.06 2jko n ASP 630 N -3.01 0.70 -0.03 5.81 8.00 -0.18 -4.43 116.55 123.42 2jko n ASP 630 Ca -0.03 -0.50 -0.12 0.00 0.71 0.00 0.00 54.79 54.86 2jko n ASP 630 Cb 0.14 0.32 -0.07 0.00 -0.02 0.00 0.00 41.12 41.49 2jko n ASP 630 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 2jko h VAL 631 N 0.31 1.21 -0.63 2.53 2.07 -1.37 -2.81 116.25 117.57 2jko h VAL 631 Ca 0.00 -0.65 -0.03 0.00 0.82 0.00 0.00 66.70 66.84 2jko h VAL 631 Cb 0.51 1.45 -0.03 0.00 -1.52 0.00 0.00 31.29 31.70 2jko h VAL 631 CO 0.00 0.19 0.25 -0.29 0.02 0.00 0.00 177.57 177.74 2jko h ILE 632 N -0.05 1.22 -0.59 4.57 6.09 -1.78 -1.50 117.51 125.46 2jko h ILE 632 Ca 0.03 -0.68 0.03 0.00 -1.37 0.00 0.00 64.86 62.87 2jko h ILE 632 Cb 0.27 0.47 -0.04 0.00 0.47 0.00 0.00 36.82 37.99 2jko h ILE 632 CO 0.00 0.27 0.36 1.23 -3.07 0.00 0.00 178.15 176.94 2jko h GLY 633 N 1.00 0.85 0.94 8.18 0.00 -1.79 0.45 103.07 112.70 2jko h GLY 633 Ca 0.21 -0.27 -0.00 0.00 0.00 0.00 0.00 47.33 47.27 2jko h GLY 633 CO -0.02 0.22 0.11 3.21 0.00 0.00 0.00 176.54 180.06 2jko h ARG 634 N 0.70 0.28 -0.55 4.80 3.08 -1.11 -1.51 114.38 120.08 2jko h ARG 634 Ca 0.24 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.27 2jko h ARG 634 Cb 0.04 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 2jko h ARG 634 CO -0.11 0.27 0.36 0.82 -1.07 0.00 0.00 179.97 180.24 2jko h ILE 635 N 0.22 1.13 0.00 2.04 2.04 -0.99 -1.71 117.51 120.23 2jko h ILE 635 Ca 0.07 -0.25 -0.02 0.00 1.00 0.00 0.00 64.86 65.66 2jko h ILE 635 Cb 0.07 0.33 -0.00 0.00 -0.74 0.00 0.00 36.82 36.48 2jko h ILE 635 CO -0.01 0.13 -0.10 -0.33 0.00 0.00 0.00 178.15 177.84 2jko h GLU 636 N 0.73 0.00 0.00 2.37 5.08 -0.78 -0.76 114.58 121.23 2jko h GLU 636 Ca 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 2jko h GLU 636 Cb -0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.18 2jko h GLU 636 CO -0.05 0.10 0.00 0.09 -1.00 0.00 0.00 179.01 178.15 2jko n ASN 637 N -3.25 0.00 0.00 1.42 4.13 -0.58 -4.89 115.26 112.09 2jko n ASN 637 Ca 0.00 -0.26 0.00 0.00 1.68 0.00 0.00 54.58 56.00 2jko n ASN 637 Cb 0.35 -0.23 0.00 0.00 -1.54 0.00 0.00 39.78 38.36 2jko n ASN 637 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2jko n GLY 638 N 0.97 0.76 3.78 7.41 0.00 -0.29 -5.05 105.19 112.77 2jko n GLY 638 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 2jko n GLY 638 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jko s GLU 639 N -0.58 3.93 0.04 1.61 2.02 -0.78 -5.00 118.70 119.95 2jko s GLU 639 Ca 0.00 1.65 -0.02 0.00 0.02 0.00 0.00 54.97 56.62 2jko s GLU 639 Cb 0.00 -2.45 -0.03 0.00 0.10 0.00 0.00 34.13 31.75 2jko s GLU 639 CO 0.00 -0.38 -0.01 1.03 0.02 0.00 0.00 175.26 175.93 2jko s ARG 640 N -2.64 0.56 0.23 1.61 1.81 -1.26 -4.27 118.95 114.99 2jko s ARG 640 Ca 0.61 -1.03 -0.31 0.00 -1.72 0.00 0.00 55.73 53.28 2jko s ARG 640 Cb -0.25 0.20 -0.14 0.00 -0.45 0.00 0.00 34.95 34.31 2jko s ARG 640 CO 0.31 -0.11 1.35 1.28 -0.68 0.00 0.00 175.30 177.45 2jko n LEU 641 N 0.48 2.83 -4.82 2.53 4.77 -1.26 -4.94 117.00 116.59 2jko n LEU 641 Ca -0.17 1.15 -0.30 0.00 -0.03 0.00 0.00 56.01 56.66 2jko n LEU 641 Cb 0.60 -1.39 0.07 0.00 -2.33 0.00 0.00 43.42 40.36 2jko n LEU 641 CO 0.26 -0.64 0.71 -2.16 -1.33 0.00 0.00 177.39 174.23 2jko s PRO 642 N -0.50 2.51 0.01 3.23 0.04 -1.26 -4.96 135.00 134.07 2jko s PRO 642 Ca 0.68 0.75 -0.30 0.00 0.04 0.00 0.00 61.00 62.17 2jko s PRO 642 Cb -0.68 -1.96 -0.08 0.00 0.04 0.00 0.00 34.50 31.83 2jko s PRO 642 CO 0.51 -1.35 1.82 1.41 0.04 0.00 0.00 177.00 179.43 2jko s MET 643 N -5.13 4.16 0.45 4.56 -2.45 -1.26 -4.95 119.30 114.68 2jko s MET 643 Ca 0.59 2.44 -0.25 0.00 -1.25 0.00 0.00 55.69 57.22 2jko s MET 643 Cb -0.14 -4.03 -0.08 0.00 1.25 0.00 0.00 34.83 31.83 2jko s MET 643 CO 0.54 -0.89 1.34 -2.30 1.05 0.00 0.00 175.02 174.76 2jko n PRO 644 N 7.16 2.01 -1.62 4.11 -0.02 -1.26 -4.91 135.00 140.46 2jko n PRO 644 Ca 0.19 0.72 -0.48 0.00 -2.02 0.00 0.00 63.50 61.90 2jko n PRO 644 Cb 0.41 -2.51 -0.04 0.00 -0.02 0.00 0.00 33.50 31.35 2jko n PRO 644 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2jko n PRO 645 N -0.21 1.56 -0.92 0.52 -0.02 -1.26 -1.88 135.00 132.78 2jko n PRO 645 Ca 0.07 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 2jko n PRO 645 Cb 0.41 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 2jko n PRO 645 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2jko n ASN 646 N 2.47 -2.01 -4.71 2.55 5.03 -1.26 -4.97 115.26 112.36 2jko n ASN 646 Ca 0.16 0.00 -0.42 0.00 0.87 0.00 0.00 54.58 55.18 2jko n ASN 646 Cb 0.25 -1.16 -0.03 0.00 -1.02 0.00 0.00 39.78 37.83 2jko n ASN 646 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2jko n PRO 648 N 4.09 2.25 -0.13 0.00 -0.02 -1.26 -4.84 135.00 135.08 2jko n PRO 648 Ca 0.08 0.81 0.14 0.00 -2.02 0.00 0.00 63.50 62.51 2jko n PRO 648 Cb 0.48 -2.59 0.51 0.00 -0.02 0.00 0.00 33.50 31.88 2jko n PRO 648 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2jko h PRO 649 N 5.97 0.39 -0.92 0.52 0.11 -1.98 -0.18 132.00 135.91 2jko h PRO 649 Ca -0.45 -0.02 0.07 0.00 0.11 0.00 0.00 66.00 65.71 2jko h PRO 649 Cb 1.25 -0.09 -0.07 0.00 0.11 0.00 0.00 31.00 32.20 2jko h PRO 649 CO 0.89 0.26 0.58 1.79 -0.21 0.00 0.00 178.00 181.31 2jko h THR 650 N 0.41 1.03 -0.20 -1.15 1.35 -1.99 0.21 112.91 112.57 2jko h THR 650 Ca 0.33 -0.35 -0.15 0.00 -0.55 0.00 0.00 66.41 65.69 2jko h THR 650 Cb 0.74 -0.08 0.00 0.00 -1.73 0.00 0.00 68.15 67.08 2jko h THR 650 CO -0.10 0.19 -0.48 0.25 -0.25 0.00 0.00 175.52 175.13 2jko h LEU 651 N 1.03 0.77 -0.63 3.87 5.85 -1.45 -2.02 115.31 122.73 2jko h LEU 651 Ca 0.41 -0.57 -0.01 0.00 0.84 0.00 0.00 57.88 58.55 2jko h LEU 651 Cb 0.22 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 2jko h LEU 651 CO -0.19 1.20 0.35 0.22 -0.34 0.00 0.00 178.44 179.67 2jko h TYR 652 N 0.38 0.87 -0.65 1.25 3.20 -0.95 -1.60 116.97 119.47 2jko h TYR 652 Ca -0.00 -0.02 0.12 0.00 3.14 0.00 0.00 58.73 61.97 2jko h TYR 652 Cb 1.09 -0.28 -0.09 0.00 1.54 0.00 0.00 36.73 38.99 2jko h TYR 652 CO 0.09 0.63 0.17 1.03 -1.64 0.00 0.00 178.16 178.44 2jko h SER 653 N 0.86 0.07 -0.50 -2.11 0.87 -0.54 -0.95 113.55 111.25 2jko h SER 653 Ca 0.22 0.11 0.04 0.00 -1.23 0.00 0.00 61.79 60.93 2jko h SER 653 Cb 0.04 0.14 -0.04 0.00 -0.44 0.00 0.00 62.40 62.10 2jko h SER 653 CO -0.04 0.03 0.27 0.25 -0.53 0.00 0.00 176.83 176.82 2jko h LEU 654 N 0.30 0.41 -0.33 2.23 5.85 -0.67 -1.69 115.31 121.42 2jko h LEU 654 Ca 0.35 0.02 0.06 0.00 0.84 0.00 0.00 57.88 59.15 2jko h LEU 654 Cb 0.52 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.43 2jko h LEU 654 CO -0.41 0.29 -0.07 0.24 -0.34 0.00 0.00 178.44 178.15 2jko h MET 655 N 0.54 0.02 0.00 1.25 2.86 -0.49 -2.03 114.93 117.07 2jko h MET 655 Ca 0.21 -0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.82 2jko h MET 655 Cb 0.09 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.74 2jko h MET 655 CO -0.13 0.01 -0.14 1.79 1.06 0.00 0.00 176.91 179.50 2jko h THR 656 N 0.02 0.71 -0.27 2.22 1.35 -0.60 -0.51 112.91 115.83 2jko h THR 656 Ca 0.16 -0.56 -0.11 0.00 -0.55 0.00 0.00 66.41 65.34 2jko h THR 656 Cb 0.24 1.34 -0.01 0.00 -1.73 0.00 0.00 68.15 67.99 2jko h THR 656 CO -0.32 0.14 -0.30 0.11 -0.25 0.00 0.00 175.52 174.90 2jko h LYS 657 N 0.00 0.54 0.00 4.72 1.57 -0.62 -2.44 116.57 120.35 2jko h LYS 657 Ca -0.00 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.54 2jko h LYS 657 Cb 0.33 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.62 2jko h LYS 657 CO 0.02 0.78 -0.05 0.00 -0.57 0.00 0.00 179.45 179.63 2jko n TRP 659 N -3.67 2.28 -1.72 0.00 8.01 -0.92 -3.71 117.44 117.70 2jko n TRP 659 Ca -0.02 -1.55 -0.42 0.00 -1.31 0.00 0.00 57.50 54.20 2jko n TRP 659 Cb 0.16 -0.72 -0.02 0.00 -2.01 0.00 0.00 31.31 28.71 2jko n TRP 659 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2jko n ALA 660 N -0.82 2.34 -0.17 6.99 0.00 -1.11 -4.91 120.51 122.83 2jko n ALA 660 Ca 0.46 0.39 -0.07 0.00 0.00 0.00 0.00 53.44 54.21 2jko n ALA 660 Cb 1.39 -2.44 0.02 0.00 0.00 0.00 0.00 19.45 18.42 2jko n ALA 660 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 2jko h TYR 661 N 5.19 0.65 -3.28 0.00 3.20 -1.93 -3.39 116.97 117.41 2jko h TYR 661 Ca -0.46 0.00 -0.57 0.00 3.14 0.00 0.00 58.73 60.84 2jko h TYR 661 Cb 1.23 -0.22 -0.06 0.00 1.54 0.00 0.00 36.73 39.23 2jko h TYR 661 CO 0.59 0.45 0.91 0.34 -1.64 0.00 0.00 178.16 178.82 2jko s ASP 662 N -5.72 6.78 0.45 -2.11 -1.08 -1.26 -4.86 116.67 108.86 2jko s ASP 662 Ca -0.13 1.06 0.15 0.00 -0.52 0.00 0.00 52.55 53.11 2jko s ASP 662 Cb 0.12 -2.54 1.08 0.00 -1.46 0.00 0.00 42.92 40.11 2jko s ASP 662 CO 0.75 -1.02 2.01 1.55 0.52 0.00 0.00 175.17 178.98 2jko h PRO 663 N 8.78 0.33 0.00 4.34 0.13 -1.95 -0.92 132.00 142.71 2jko h PRO 663 Ca -0.23 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 2jko h PRO 663 Cb 1.08 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.13 2jko h PRO 663 CO 1.04 0.22 0.00 0.66 -0.23 0.00 0.00 178.00 179.69 2jko h SER 664 N 0.34 0.00 0.39 1.44 4.64 -1.94 -2.46 113.55 115.96 2jko h SER 664 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 2jko h SER 664 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 2jko h SER 664 CO -0.05 0.00 -0.48 0.54 -0.87 0.00 0.00 176.83 175.97 2jko n ARG 665 N -2.56 0.22 -2.79 4.77 1.74 -0.35 -4.92 116.66 112.76 2jko n ARG 665 Ca 0.00 -0.13 -0.34 0.00 -0.77 0.00 0.00 57.85 56.61 2jko n ARG 665 Cb 0.18 -1.50 -0.07 0.00 -1.02 0.00 0.00 32.46 30.05 2jko n ARG 665 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2jko s ARG 666 N -2.87 4.27 0.68 5.56 0.52 -0.93 -4.93 118.95 121.25 2jko s ARG 666 Ca 0.14 1.18 -0.15 0.00 -0.52 0.00 0.00 55.73 56.38 2jko s ARG 666 Cb 0.18 -2.30 0.01 0.00 0.52 0.00 0.00 34.95 33.36 2jko s ARG 666 CO 0.67 0.01 1.12 -1.25 0.02 0.00 0.00 175.30 175.86 2jko s PRO 667 N -2.96 2.68 0.71 3.54 0.04 -1.26 -5.04 135.00 132.71 2jko s PRO 667 Ca 0.60 1.42 -0.11 0.00 0.04 0.00 0.00 61.00 62.94 2jko s PRO 667 Cb -0.11 -1.93 0.02 0.00 0.04 0.00 0.00 34.50 32.51 2jko s PRO 667 CO 0.16 -1.35 1.08 1.03 0.04 0.00 0.00 177.00 177.96 2jko s ARG 668 N -4.13 2.84 0.43 4.56 0.52 -1.26 -4.89 118.95 117.02 2jko s ARG 668 Ca 0.67 0.65 0.10 0.00 -0.52 0.00 0.00 55.73 56.63 2jko s ARG 668 Cb -0.21 -2.00 0.93 0.00 0.52 0.00 0.00 34.95 34.19 2jko s ARG 668 CO 0.43 -1.09 2.03 0.74 0.02 0.00 0.00 175.30 177.42 2jko h PHE 669 N -0.70 0.28 -0.17 -0.53 0.04 -1.93 -0.91 116.94 113.03 2jko h PHE 669 Ca -0.45 -0.01 -0.07 0.00 2.80 0.00 0.00 57.97 60.24 2jko h PHE 669 Cb 1.24 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 39.28 2jko h PHE 669 CO 0.55 0.26 -0.21 0.00 -0.60 0.00 0.00 178.31 178.30 2jko h THR 670 N 0.29 1.23 -0.26 -1.55 1.03 -1.90 -0.18 112.91 111.57 2jko h THR 670 Ca 0.07 -1.05 -0.14 0.00 -0.01 0.00 0.00 66.41 65.28 2jko h THR 670 Cb 0.12 1.34 -0.00 0.00 -1.07 0.00 0.00 68.15 68.54 2jko h THR 670 CO -0.00 0.33 -0.37 -0.33 -0.01 0.00 0.00 175.52 175.14 2jko h GLU 671 N 0.27 0.71 -0.55 0.00 5.08 -1.57 -2.34 114.58 116.17 2jko h GLU 671 Ca 0.05 -0.41 0.01 0.00 -1.00 0.00 0.00 59.36 58.00 2jko h GLU 671 Cb 0.53 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.79 2jko h GLU 671 CO 0.04 1.03 0.36 -0.07 -1.00 0.00 0.00 179.01 179.37 2jko h LEU 672 N 0.44 0.62 -0.36 1.33 3.38 -1.04 -1.46 115.31 118.22 2jko h LEU 672 Ca 0.03 -0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.04 2jko h LEU 672 Cb 0.96 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.50 2jko h LEU 672 CO 0.09 0.45 0.04 0.50 0.09 0.00 0.00 178.44 179.60 2jko h LYS 673 N 0.74 0.14 -0.48 1.13 3.64 -0.98 0.22 116.57 120.98 2jko h LYS 673 Ca 0.21 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.56 2jko h LYS 673 Cb -0.07 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 2jko h LYS 673 CO -0.05 0.09 0.22 0.00 -2.27 0.00 0.00 179.45 177.44 2jko h ALA 674 N 1.30 0.62 -0.37 5.00 0.00 -1.07 -0.55 119.26 124.18 2jko h ALA 674 Ca 0.18 -0.13 -0.16 0.00 0.00 0.00 0.00 54.91 54.79 2jko h ALA 674 Cb 0.23 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 2jko h ALA 674 CO -0.26 0.19 -0.41 1.96 0.00 0.00 0.00 179.25 180.73 2jko h GLN 675 N 0.63 0.93 -0.50 0.00 1.08 -1.00 -2.94 115.11 113.31 2jko h GLN 675 Ca 0.16 -0.51 -0.04 0.00 -1.45 0.00 0.00 58.65 56.82 2jko h GLN 675 Cb 0.14 0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.58 2jko h GLN 675 CO -0.02 1.16 0.15 -0.07 -0.95 0.00 0.00 178.83 179.10 2jko h LEU 676 N 0.75 0.69 -0.54 1.46 3.38 -0.35 -1.51 115.31 119.18 2jko h LEU 676 Ca 0.05 -0.10 0.07 0.00 0.09 0.00 0.00 57.88 57.99 2jko h LEU 676 Cb 1.01 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 41.52 2jko h LEU 676 CO 0.10 0.66 0.23 -1.28 0.09 0.00 0.00 178.44 178.24 2jko h SER 677 N 0.73 0.27 -0.30 -0.43 0.87 -0.93 0.29 113.55 114.05 2jko h SER 677 Ca 0.17 0.05 -0.17 0.00 -1.23 0.00 0.00 61.79 60.61 2jko h SER 677 Cb 0.23 0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.20 2jko h SER 677 CO -0.01 0.18 -0.47 0.71 -0.53 0.00 0.00 176.83 176.72 2jko h THR 678 N 0.43 1.28 -0.61 2.23 1.35 -1.28 -0.83 112.91 115.47 2jko h THR 678 Ca 0.26 -1.65 -0.02 0.00 -0.55 0.00 0.00 66.41 64.45 2jko h THR 678 Cb 0.25 1.52 -0.03 0.00 -1.73 0.00 0.00 68.15 68.16 2jko h THR 678 CO -0.23 0.54 0.31 0.40 -0.25 0.00 0.00 175.52 176.29 2jko h ILE 679 N 0.69 1.21 -0.19 6.82 2.04 -1.06 -0.89 117.51 126.13 2jko h ILE 679 Ca 0.04 -0.57 -0.01 0.00 1.00 0.00 0.00 64.86 65.32 2jko h ILE 679 Cb 1.06 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.59 2jko h ILE 679 CO 0.11 0.24 0.09 0.25 0.00 0.00 0.00 178.15 178.83 2jko h LEU 680 N 0.84 0.24 -0.80 1.44 5.85 -0.80 -1.63 115.31 120.45 2jko h LEU 680 Ca 0.21 -0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.79 2jko h LEU 680 Cb 0.09 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 2jko h LEU 680 CO -0.03 0.29 0.39 -0.33 -0.34 0.00 0.00 178.44 178.42 2jko h GLU 681 N 0.18 1.15 -0.55 1.25 4.39 -0.97 0.04 114.58 120.07 2jko h GLU 681 Ca 0.06 -0.17 -0.02 0.00 0.34 0.00 0.00 59.36 59.58 2jko h GLU 681 Cb 0.11 -0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 28.53 2jko h GLU 681 CO -0.01 0.89 0.28 1.49 -1.16 0.00 0.00 179.01 180.50 2jko h GLU 682 N 1.13 0.78 -0.32 2.33 4.57 -1.07 -2.61 114.58 119.40 2jko h GLU 682 Ca 0.28 -0.11 -0.04 0.00 -1.18 0.00 0.00 59.36 58.31 2jko h GLU 682 Cb 0.11 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.55 2jko h GLU 682 CO -0.04 0.63 0.05 1.49 -1.18 0.00 0.00 179.01 179.97 2jko h GLU 683 N 0.74 0.52 -0.51 1.92 4.57 -0.79 -2.12 114.58 118.90 2jko h GLU 683 Ca 0.19 -0.14 0.15 0.00 -1.18 0.00 0.00 59.36 58.38 2jko h GLU 683 Cb 0.10 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.61 2jko h GLU 683 CO -0.03 0.61 0.44 0.87 -1.18 0.00 0.00 179.01 179.73 2jko h LYS 684 N 0.35 0.00 0.00 1.92 1.57 -0.92 -0.37 116.57 119.11 2jko h LYS 684 Ca 0.10 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.78 2jko h LYS 684 Cb 0.34 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 2jko h LYS 684 CO 0.01 0.00 -0.47 -0.07 -0.57 0.00 0.00 179.45 178.35 2jko h LEU 685 N 0.00 0.00 0.00 2.94 3.38 -1.00 -3.51 115.31 117.12 2jko h LEU 685 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 2jko h LEU 685 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 2jko h LEU 685 CO -0.00 0.47 0.00 0.00 0.09 0.00 0.00 178.44 178.99